 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_LCPBE_augccpVDZ.in
 Output=06_betapinene_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/06_betapinene_STD/Gau-10958.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10960.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=06_betapinene_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026000
 0000,3/108=0260000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=260000000,108=260000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:02 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "06_betapinene_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.260000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:06 2021, MaxMem=  5637144576 cpu:              15.7 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  2.52D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:               7.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636827066 LenY=  5636671389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -389.385775740548    
 DIIS: error= 2.58D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -389.385775740548     IErMin= 1 ErrMin= 2.58D-03
 ErrMax= 2.58D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-02 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.58D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.399 Goal=   None    Shift=    0.000
 GapD=    0.399 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.32D-02 MaxDP=3.54D+00              OVMax= 1.45D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.63D-02    CP:  1.59D+00
 E= -389.397242621457     Delta-E=       -0.011466880910 Rises=F Damp=F
 DIIS: error= 6.73D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -389.397242621457     IErMin= 2 ErrMin= 6.73D-04
 ErrMax= 6.73D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-04 BMatP= 1.13D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.73D-03
 Coeff-Com: -0.559D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.555D-02 0.101D+01
 Gap=     0.348 Goal=   None    Shift=    0.000
 RMSDP=5.03D-03 MaxDP=6.26D-01 DE=-1.15D-02 OVMax= 5.46D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.35D-03    CP:  1.69D+00  1.14D+00
 E= -389.397453981720     Delta-E=       -0.000211360263 Rises=F Damp=F
 DIIS: error= 5.59D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -389.397453981720     IErMin= 3 ErrMin= 5.59D-04
 ErrMax= 5.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-04 BMatP= 3.43D-04
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.59D-03
 Coeff-Com: -0.226D-01 0.465D+00 0.557D+00
 Coeff-En:   0.000D+00 0.232D+00 0.768D+00
 Coeff:     -0.224D-01 0.464D+00 0.559D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.79D-04 MaxDP=6.72D-02 DE=-2.11D-04 OVMax= 4.13D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.64D-04    CP:  1.70D+00  1.16D+00  9.74D-01
 E= -389.397685687113     Delta-E=       -0.000231705393 Rises=F Damp=F
 DIIS: error= 1.27D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -389.397685687113     IErMin= 4 ErrMin= 1.27D-04
 ErrMax= 1.27D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-05 BMatP= 2.45D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.27D-03
 Coeff-Com: -0.669D-02 0.286D-01 0.185D+00 0.793D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.668D-02 0.285D-01 0.185D+00 0.793D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.09D-04 MaxDP=2.30D-02 DE=-2.32D-04 OVMax= 1.70D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.03D-05    CP:  1.70D+00  1.16D+00  1.04D+00  9.78D-01
 E= -389.397699222604     Delta-E=       -0.000013535490 Rises=F Damp=F
 DIIS: error= 4.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -389.397699222604     IErMin= 5 ErrMin= 4.48D-05
 ErrMax= 4.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-06 BMatP= 1.41D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.265D-03-0.410D-01 0.194D-01 0.353D+00 0.669D+00
 Coeff:     -0.265D-03-0.410D-01 0.194D-01 0.353D+00 0.669D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.68D-05 MaxDP=5.26D-03 DE=-1.35D-05 OVMax= 5.42D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.31D-05    CP:  1.70D+00  1.16D+00  1.06D+00  1.03D+00  9.77D-01
 E= -389.397701477972     Delta-E=       -0.000002255368 Rises=F Damp=F
 DIIS: error= 6.89D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -389.397701477972     IErMin= 6 ErrMin= 6.89D-06
 ErrMax= 6.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.15D-08 BMatP= 2.30D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.482D-03-0.127D-01-0.734D-02 0.398D-01 0.173D+00 0.807D+00
 Coeff:      0.482D-03-0.127D-01-0.734D-02 0.398D-01 0.173D+00 0.807D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=7.52D-06 MaxDP=4.94D-04 DE=-2.26D-06 OVMax= 8.95D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.12D-06    CP:  1.70D+00  1.16D+00  1.06D+00  1.04D+00  1.00D+00
                    CP:  1.06D+00
 E= -389.397701552345     Delta-E=       -0.000000074374 Rises=F Damp=F
 DIIS: error= 3.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -389.397701552345     IErMin= 7 ErrMin= 3.46D-06
 ErrMax= 3.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.86D-09 BMatP= 6.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-03-0.202D-02-0.394D-02-0.910D-02 0.172D-01 0.317D+00
 Coeff-Com:  0.681D+00
 Coeff:      0.197D-03-0.202D-02-0.394D-02-0.910D-02 0.172D-01 0.317D+00
 Coeff:      0.681D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.08D-06 MaxDP=4.50D-04 DE=-7.44D-08 OVMax= 2.40D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.92D-06    CP:  1.70D+00  1.16D+00  1.06D+00  1.04D+00  1.01D+00
                    CP:  1.10D+00  9.95D-01
 E= -389.397701563078     Delta-E=       -0.000000010733 Rises=F Damp=F
 DIIS: error= 6.50D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -389.397701563078     IErMin= 8 ErrMin= 6.50D-07
 ErrMax= 6.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-10 BMatP= 9.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04 0.119D-02-0.106D-03-0.847D-02-0.220D-01-0.191D-01
 Coeff-Com:  0.177D+00 0.872D+00
 Coeff:     -0.165D-04 0.119D-02-0.106D-03-0.847D-02-0.220D-01-0.191D-01
 Coeff:      0.177D+00 0.872D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.78D-06 MaxDP=2.09D-04 DE=-1.07D-08 OVMax= 1.01D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.59D-07    CP:  1.70D+00  1.16D+00  1.06D+00  1.04D+00  1.01D+00
                    CP:  1.11D+00  1.06D+00  1.13D+00
 E= -389.397701564083     Delta-E=       -0.000000001005 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -389.397701564083     IErMin= 9 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-11 BMatP= 6.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-04 0.333D-03 0.115D-03-0.111D-02-0.558D-02-0.153D-01
 Coeff-Com:  0.237D-02 0.170D+00 0.850D+00
 Coeff:     -0.118D-04 0.333D-03 0.115D-03-0.111D-02-0.558D-02-0.153D-01
 Coeff:      0.237D-02 0.170D+00 0.850D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.36D-07 MaxDP=1.75D-05 DE=-1.00D-09 OVMax= 2.27D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  1.70D+00  1.16D+00  1.06D+00  1.04D+00  1.01D+00
                    CP:  1.11D+00  1.07D+00  1.20D+00  1.16D+00
 E= -389.397701564129     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 5.00D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -389.397701564129     IErMin=10 ErrMin= 5.00D-08
 ErrMax= 5.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.37D-12 BMatP= 2.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.214D-05-0.228D-04 0.437D-04 0.653D-03 0.509D-03-0.259D-02
 Coeff-Com: -0.211D-01-0.443D-01 0.284D+00 0.783D+00
 Coeff:     -0.214D-05-0.228D-04 0.437D-04 0.653D-03 0.509D-03-0.259D-02
 Coeff:     -0.211D-01-0.443D-01 0.284D+00 0.783D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=9.23D-08 MaxDP=6.70D-06 DE=-4.62D-11 OVMax= 9.07D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.52D-08    CP:  1.70D+00  1.16D+00  1.06D+00  1.04D+00  1.01D+00
                    CP:  1.11D+00  1.07D+00  1.21D+00  1.20D+00  1.09D+00
 E= -389.397701564167     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 1.97D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -389.397701564167     IErMin=11 ErrMin= 1.97D-08
 ErrMax= 1.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.00D-13 BMatP= 5.37D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.563D-06-0.416D-04-0.145D-05 0.306D-03 0.685D-03 0.105D-02
 Coeff-Com: -0.663D-02-0.301D-01-0.794D-02 0.225D+00 0.817D+00
 Coeff:      0.563D-06-0.416D-04-0.145D-05 0.306D-03 0.685D-03 0.105D-02
 Coeff:     -0.663D-02-0.301D-01-0.794D-02 0.225D+00 0.817D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.04D-08 MaxDP=5.13D-06 DE=-3.81D-11 OVMax= 4.11D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.52D-08    CP:  1.70D+00  1.16D+00  1.06D+00  1.04D+00  1.01D+00
                    CP:  1.11D+00  1.07D+00  1.21D+00  1.21D+00  1.17D+00
                    CP:  1.11D+00
 E= -389.397701564174     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 4.57D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -389.397701564174     IErMin=12 ErrMin= 4.57D-09
 ErrMax= 4.57D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-14 BMatP= 4.00D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-06-0.428D-05-0.269D-05 0.410D-05 0.421D-04 0.337D-03
 Coeff-Com:  0.372D-03-0.822D-03-0.197D-01-0.246D-01 0.117D+00 0.927D+00
 Coeff:      0.230D-06-0.428D-05-0.269D-05 0.410D-05 0.421D-04 0.337D-03
 Coeff:      0.372D-03-0.822D-03-0.197D-01-0.246D-01 0.117D+00 0.927D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.96D-09 MaxDP=2.80D-07 DE=-6.93D-12 OVMax= 1.16D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -389.397701564     A.U. after   12 cycles
            NFock= 12  Conv=0.70D-08     -V/T= 2.0051
 KE= 3.874306866888D+02 PE=-2.045141792270D+03 EE= 6.973077207266D+02
 Leave Link  502 at Fri Jul 16 19:23:53 2021, MaxMem=  5637144576 cpu:            4663.4 elap:             583.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.78451796D+02

 Leave Link  801 at Fri Jul 16 19:23:53 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 1.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.43D-01 4.34D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 2.74D-02 3.38D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 3.35D-03 7.39D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 2.76D-04 2.22D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 2.19D-05 5.13D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 9.57D-07 1.07D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 3.11D-08 2.12D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 7.62D-10 3.32D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 2.24D-11 4.83D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 5.16D-13 7.43D-08.
      3 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 2.15D-14 1.35D-08.
      1 vectors produced by pass 12 Test12= 2.13D-13 8.33D-09 XBig12= 9.69D-15 8.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   122 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.131523D+03
      2 -0.772526D+01  0.122811D+03
      3  0.287328D+00  0.111706D+01  0.107336D+03
 Isotropic polarizability for W=    0.093368      120.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.122561D+02 -0.312460D+02  0.322227D+01
      2   0.199863D+02 -0.843987D+01 -0.801752D+01
      3  -0.322423D+02  0.396858D+02  0.479526D+01
      4  -0.759020D+02  0.589974D+02  0.137912D+02
      5   0.574815D+01  0.199791D+02 -0.217931D+02
      6   0.101782D+02 -0.319514D+01 -0.152843D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.384828D+01 -0.338085D+01  0.316102D+01
      2   0.712521D+01  0.261576D+01 -0.760557D+01
      3   0.106512D+02 -0.968456D+01 -0.652517D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.618791D+01  0.482238D+01  0.412143D+02
      2  -0.252588D+01  0.361301D+01  0.104492D+02
      3  -0.446561D+02 -0.390111D+02 -0.980093D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.407727D+00 -0.649027D+00 -0.388327D+01
      2  -0.649027D+00 -0.435192D+00  0.752287D+00
      3  -0.388327D+01  0.752287D+00  0.781785D+00
 OR G Eigenvalues:    -3.7415    -0.6427     4.3230  Iso=     0.0204
 Eigenvectors:
   (1)   0.758809   0.000760   0.651313
   (2)   0.132564   0.978887  -0.155586
   (3)  -0.637680   0.204400   0.742688
 w=    0.093368 a.u., Optical Rotation Beta=      0.0204 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =        8.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.50D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.43D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.06D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 1.83D-02 1.98D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.21D-03 7.08D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 3.48D-05 5.83D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 6.71D-07 8.73D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 1.18D-08 9.07D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 1.09D-10 1.07D-06.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 8.20D-13 6.41D-08.
     15 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.17D-14 8.05D-09.
      2 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 4.12D-15 6.89D-09.
      1 vectors produced by pass 10 Test12= 3.55D-14 2.78D-09 XBig12= 7.89D-16 3.25D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   258 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.91D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.131523D+03 -0.772526D+01  0.287328D+00
      2  -0.772526D+01  0.122811D+03  0.111706D+01
      3   0.287328D+00  0.111706D+01  0.107336D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.384828D+01 -0.338085D+01  0.316102D+01
      2   0.712521D+01  0.261576D+01 -0.760557D+01
      3   0.106512D+02 -0.968456D+01 -0.652517D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.122561D+02 -0.312460D+02  0.322227D+01
      2   0.199863D+02 -0.843987D+01 -0.801752D+01
      3  -0.322423D+02  0.396858D+02  0.479526D+01
      4  -0.759020D+02  0.589974D+02  0.137912D+02
      5   0.574815D+01  0.199791D+02 -0.217931D+02
      6   0.101782D+02 -0.319514D+01 -0.152843D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.202575D+01 -0.182059D+01 -0.158098D+01 -0.842515D+00  0.118741D+01
      2  -0.182059D+01 -0.185069D+01  0.923848D+00  0.118741D+01 -0.399340D+01
      3  -0.158098D+01  0.923848D+00 -0.274851D+01  0.180607D+01  0.108175D+01
                 6             7             8             9            10 
      1   0.180607D+01 -0.321126D+01  0.188998D+01 -0.349694D+01 -0.421222D-01
      2   0.108175D+01  0.188998D+01  0.246587D+01 -0.985878D+00  0.204140D+01
      3  -0.913796D-01 -0.349694D+01 -0.985878D+00 -0.662304D+00  0.144711D+01
                11            12            13            14            15 
      1   0.204140D+01  0.144711D+01  0.172980D+01 -0.307824D+01 -0.120649D+00
      2  -0.319526D+01 -0.227748D-01 -0.307824D+01 -0.651566D+01  0.597793D+00
      3  -0.227748D-01  0.181552D+01 -0.120649D+00  0.597793D+00  0.829589D+00
                16            17            18            19            20 
      1   0.197832D+01  0.111576D+00  0.180924D+01 -0.132050D+02  0.951879D+01
      2   0.111576D+00  0.125718D+01 -0.279216D+00  0.951879D+01 -0.780960D+01
      3   0.180924D+01 -0.279216D+00 -0.559999D+01  0.324215D+01 -0.380897D+00
                21            22            23            24            25 
      1   0.324215D+01  0.914296D+01 -0.809063D+01 -0.181049D+01  0.886379D-01
      2  -0.380897D+00 -0.809063D+01  0.109116D+02 -0.194537D+01  0.415010D+00
      3  -0.185013D+01 -0.181049D+01 -0.194537D+01  0.261404D+01 -0.894943D+00
                26            27            28            29            30 
      1   0.415010D+00 -0.894943D+00  0.692356D+01 -0.668772D+01 -0.570956D+01
      2  -0.155988D+01  0.901546D+00 -0.668772D+01  0.757932D+01  0.240399D+01
      3   0.901546D+00  0.126386D+00 -0.570956D+01  0.240399D+01  0.260713D+01
                31            32            33            34            35 
      1  -0.950998D+01  0.854054D+01  0.817457D+00 -0.645841D+01  0.129659D+01
      2   0.854054D+01 -0.876866D+01  0.384384D+01  0.129659D+01  0.488066D+01
      3   0.817457D+00  0.384384D+01 -0.245812D+01  0.351093D+01 -0.315483D+01
                36            37            38            39            40 
      1   0.351093D+01  0.117549D+02 -0.566129D+01 -0.357460D+01 -0.199694D+01
      2  -0.315483D+01 -0.566129D+01  0.354727D+01 -0.619251D+00  0.258225D+01
      3  -0.955870D+00 -0.357460D+01 -0.619251D+00  0.242140D+01 -0.868456D+00
                41            42            43            44            45 
      1   0.258225D+01 -0.868456D+00 -0.655595D+01  0.420517D+00  0.283290D+01
      2   0.137965D+01  0.528258D+01  0.420517D+00  0.485603D+01  0.127614D+01
      3   0.528258D+01  0.960705D+00  0.283290D+01  0.127614D+01 -0.113786D+01
                46            47            48            49            50 
      1  -0.483772D+01  0.304786D+01  0.560102D+01  0.403563D+01 -0.473284D+01
      2   0.304786D+01 -0.273416D+01  0.289728D-01 -0.473284D+01 -0.685095D+01
      3   0.560102D+01  0.289728D-01 -0.217867D+01 -0.228675D+00 -0.447706D+00
                51            52            53            54            55 
      1  -0.228675D+00  0.108490D+02 -0.196826D+01 -0.266429D+01  0.204901D+01
      2  -0.447706D+00 -0.196826D+01  0.110435D+01  0.214336D+01 -0.313441D+01
      3   0.158900D+01 -0.266429D+01  0.214336D+01 -0.637944D+00 -0.232138D+01
                56            57            58            59            60 
      1  -0.313441D+01 -0.232138D+01 -0.320270D+01  0.581540D+01  0.208235D+00
      2   0.541587D+01 -0.195306D-01  0.581540D+01  0.338895D+01 -0.225852D+01
      3  -0.195306D-01 -0.110139D+01  0.208235D+00 -0.225852D+01  0.161916D+01
                61            62            63            64            65 
      1  -0.229363D+01 -0.574763D+00 -0.130868D+01  0.160522D+00 -0.878158D+00
      2  -0.574763D+00 -0.290128D+01  0.372855D+00 -0.878158D+00 -0.365697D+01
      3  -0.130868D+01  0.372855D+00  0.440468D+01  0.397158D+01  0.244627D+01
                66            67            68            69            70 
      1   0.397158D+01  0.731294D+00 -0.395350D+01  0.297526D+01  0.363442D+01
      2   0.244627D+01 -0.395350D+01  0.354483D+01 -0.108851D+01  0.162445D+01
      3   0.170090D+01  0.297526D+01 -0.108851D+01 -0.262536D+01  0.135508D+01
                71            72            73            74            75 
      1   0.162445D+01  0.135508D+01  0.446567D+01  0.580958D+00  0.249795D+01
      2  -0.151911D+00 -0.215559D+01  0.580958D+00  0.136883D+01  0.447087D+00
      3  -0.215559D+01 -0.976408D+00  0.249795D+01  0.447087D+00  0.243765D+01
                76            77            78            79            80 
      1  -0.741130D+00  0.706358D+00 -0.546167D+00  0.386783D+01  0.251663D+00
      2   0.706358D+00 -0.543378D-01  0.522277D+00  0.251663D+00  0.695791D+00
      3  -0.546167D+00  0.522277D+00 -0.299981D+00  0.316175D+01  0.817824D+00
                81            82            83            84            85 
      1   0.316175D+01  0.923459D+00  0.142394D+01 -0.781950D-01  0.162229D+01
      2   0.817824D+00  0.142394D+01  0.178331D+01  0.205074D+00  0.202608D+01
      3   0.421540D+01 -0.781950D-01  0.205074D+00 -0.712434D-01  0.244838D+00
                86            87            88            89            90 
      1   0.202608D+01  0.244838D+00 -0.633994D+00 -0.209119D+00 -0.265122D-01
      2   0.117395D+02  0.820134D+00 -0.209119D+00 -0.133374D+01  0.113535D+01
      3   0.820134D+00  0.111841D+01 -0.265122D-01  0.113535D+01  0.477267D+00
                91            92            93            94            95 
      1  -0.788724D+00 -0.118308D+00  0.921766D+00 -0.393826D+00 -0.417795D-02
      2  -0.118308D+00  0.189615D-01 -0.294616D+00 -0.417795D-02  0.678936D+00
      3   0.921766D+00 -0.294616D+00 -0.123349D+01  0.403011D-02  0.882209D+00
                96            97            98            99           100 
      1   0.403011D-02  0.143322D+01 -0.157769D-01 -0.868654D+00  0.935925D+01
      2   0.882209D+00 -0.157769D-01  0.174853D+01  0.182411D+01 -0.250078D+01
      3  -0.136890D+00 -0.868654D+00  0.182411D+01  0.844616D+01  0.282405D+01
               101           102           103           104           105 
      1  -0.250078D+01  0.282405D+01 -0.672123D+00  0.146361D+01  0.461086D+00
      2   0.195577D+01 -0.833636D+00  0.146361D+01 -0.164485D+01 -0.267538D+00
      3  -0.833636D+00  0.162320D+01  0.461086D+00 -0.267538D+00  0.180458D-02
               106           107           108           109           110 
      1   0.519149D+01 -0.834501D+00  0.136872D+01  0.107919D+01 -0.112602D+01
      2  -0.834501D+00  0.665437D-01 -0.397002D-01 -0.112602D+01 -0.861161D+00
      3   0.136872D+01 -0.397002D-01  0.110038D+01  0.184229D+00 -0.106140D+01
               111           112           113           114           115 
      1   0.184229D+00 -0.170205D+01  0.150796D+01  0.461546D+00 -0.648723D-01
      2  -0.106140D+01  0.150796D+01 -0.827733D+01 -0.298706D+01 -0.694968D-01
      3  -0.597596D+00  0.461546D+00 -0.298706D+01 -0.198695D+01 -0.197720D+00
               116           117           118           119           120 
      1  -0.694968D-01 -0.197720D+00 -0.516426D+00 -0.953626D+00 -0.479143D+00
      2  -0.414148D+01 -0.155597D+01 -0.953626D+00 -0.797154D+00 -0.376943D+00
      3  -0.155597D+01 -0.131679D+01 -0.479143D+00 -0.376943D+00 -0.697330D+00
               121           122           123           124           125 
      1  -0.179440D+01 -0.518323D+00 -0.482316D+00 -0.686153D-01 -0.460427D+00
      2  -0.518323D+00 -0.539471D+01 -0.324550D+01 -0.460427D+00 -0.263945D+01
      3  -0.482316D+00 -0.324550D+01 -0.295593D+01 -0.544553D+00 -0.259982D+01
               126           127           128           129           130 
      1  -0.544553D+00 -0.242305D+01 -0.153778D+01 -0.455507D+01 -0.177321D+01
      2  -0.259982D+01 -0.153778D+01  0.123121D+01  0.251469D+00  0.208499D+01
      3  -0.361820D+01 -0.455507D+01  0.251469D+00  0.202491D+01  0.596863D+00
               131           132           133           134           135 
      1   0.208499D+01  0.596863D+00 -0.479002D+01  0.476050D+00  0.220598D+01
      2   0.676689D+01 -0.820097D+00  0.476050D+00 -0.650378D-01 -0.238811D+01
      3  -0.820097D+00 -0.263246D+01  0.220598D+01 -0.238811D+01 -0.500045D+00
               136           137           138           139           140 
      1   0.706300D+00 -0.222949D+01 -0.407228D+01 -0.332534D+01  0.321974D+01
      2  -0.222949D+01  0.144940D+01  0.898089D-01  0.321974D+01  0.661968D+01
      3  -0.407228D+01  0.898089D-01  0.225298D+01  0.300103D+00  0.924972D+00
               141           142           143           144           145 
      1   0.300103D+00 -0.551981D+01  0.946909D+00  0.320831D+01 -0.606732D+01
      2   0.924972D+00  0.946909D+00  0.396951D+00 -0.251374D+01  0.410634D+01
      3  -0.274646D+01  0.320831D+01 -0.251374D+01  0.278974D+01  0.947101D+00
               146           147           148           149           150 
      1   0.410634D+01  0.947101D+00  0.328903D+01 -0.363100D+01 -0.219495D+00
      2  -0.449111D+01 -0.523294D+00 -0.363100D+01  0.518063D+01  0.870550D+00
      3  -0.523294D+00 -0.917460D+00 -0.219495D+00  0.870550D+00  0.826996D+00
               151           152           153           154           155 
      1   0.107587D+01 -0.366515D+00 -0.892701D+00 -0.446755D+01  0.801225D+00
      2  -0.366515D+00  0.111066D+01  0.119865D+01  0.801225D+00 -0.106296D+01
      3  -0.892701D+00  0.119865D+01  0.387565D+00 -0.315879D+01  0.670243D+00
               156           157           158           159           160 
      1  -0.315879D+01 -0.205267D+00 -0.431576D+00  0.613673D-01 -0.287426D+01
      2   0.670243D+00 -0.431576D+00  0.128266D+00 -0.724122D+00  0.530791D+00
      3  -0.394881D+01  0.613673D-01 -0.724122D+00  0.420854D+00 -0.314297D+01
               161           162           163           164           165 
      1   0.530791D+00 -0.314297D+01  0.297243D+01  0.186756D+01 -0.238100D+01
      2  -0.108228D+01  0.116405D+01  0.186756D+01  0.278895D+01 -0.206957D+01
      3   0.116405D+01 -0.544664D+01 -0.238100D+01 -0.206957D+01  0.301481D+01
               166           167           168           169           170 
      1   0.120109D+01  0.185419D+01 -0.120343D+01 -0.132516D+01 -0.105592D+01
      2   0.185419D+01  0.292293D+01 -0.206815D+01 -0.105592D+01 -0.155452D+01
      3  -0.120343D+01 -0.206815D+01  0.248000D+01  0.126720D+01  0.209014D+01
               171           172           173           174           175 
      1   0.126720D+01  0.516624D+01  0.620088D+00  0.166772D+01  0.772732D+00
      2   0.209014D+01  0.620088D+00  0.103201D+01 -0.283674D+00  0.433790D+00
      3  -0.339455D+01  0.166772D+01 -0.283674D+00  0.281869D+01 -0.999964D-01
               176           177           178           179           180 
      1   0.433790D+00 -0.999964D-01  0.166150D+01  0.486107D-01  0.139748D+01
      2  -0.327516D+00  0.373038D+00  0.486107D-01  0.431983D+00  0.157657D+00
      3   0.373038D+00  0.584307D+00  0.139748D+01  0.157657D+00  0.215834D+01
               181           182           183           184           185 
      1  -0.426937D+00 -0.913121D+00  0.714525D+00 -0.153489D+01 -0.174926D+01
      2  -0.913121D+00 -0.936445D+00  0.159823D+00 -0.174926D+01 -0.857609D+01
      3   0.714525D+00  0.159823D+00 -0.601952D+00  0.422835D+00  0.216493D+01
               186           187           188           189           190 
      1   0.422835D+00  0.235427D+00 -0.124962D+00 -0.380320D+00 -0.372617D+01
      2   0.216493D+01 -0.124962D+00 -0.589531D-02 -0.679982D+00  0.481851D+00
      3  -0.193764D+01 -0.380320D+00 -0.679982D+00  0.402666D+00  0.337403D+01
               191           192           193           194           195 
      1   0.481851D+00  0.337403D+01  0.155205D+01 -0.902843D+00 -0.118180D+01
      2  -0.115654D+01 -0.201519D+00 -0.902843D+00  0.252532D+00  0.969511D+00
      3  -0.201519D+00 -0.412902D+01 -0.118180D+01  0.969511D+00  0.229803D+01
               196           197           198           199           200 
      1   0.265548D+01 -0.230781D+00 -0.305502D+01 -0.141033D+01  0.749201D+00
      2  -0.230781D+00  0.780139D+00  0.708021D+00  0.749201D+00 -0.408434D+00
      3  -0.305502D+01  0.708021D+00  0.557048D+01 -0.117708D+01  0.301456D+00
               201           202           203           204           205 
      1  -0.117708D+01  0.181514D+01 -0.646326D+00  0.561979D+00 -0.283650D+01
      2   0.301456D+00 -0.646326D+00  0.375340D+00 -0.109948D+01  0.233001D-01
      3  -0.166860D+01  0.561979D+00 -0.109948D+01  0.171692D+01 -0.265404D+01
               206           207           208           209           210 
      1   0.233001D-01 -0.265404D+01 -0.721451D+01  0.959393D+00  0.256799D+01
      2  -0.143661D+01  0.130248D+01  0.959393D+00 -0.102380D+01 -0.460015D+00
      3   0.130248D+01 -0.565544D+01  0.256799D+01 -0.460015D+00 -0.189380D+01
               211           212           213           214           215 
      1   0.312815D+01 -0.163620D+01 -0.820665D+00  0.565489D+01 -0.588499D+00
      2  -0.163620D+01  0.324324D+00  0.533647D+00 -0.588499D+00  0.982545D+00
      3  -0.820665D+00  0.533647D+00  0.109621D+01 -0.269733D+01  0.700961D+00
               216           217           218           219           220 
      1  -0.269733D+01 -0.128152D+01 -0.980183D+00  0.200517D+00 -0.331902D+01
      2   0.700961D+00 -0.980183D+00 -0.900333D+00 -0.747288D-01 -0.358663D+01
      3   0.223706D+01  0.200517D+00 -0.747288D-01 -0.244145D+00 -0.522653D+00
               221           222           223           224           225 
      1  -0.358663D+01 -0.522653D+00  0.350683D+00 -0.252842D+00 -0.857384D+00
      2  -0.812813D+01 -0.751187D+00 -0.252842D+00 -0.460167D+00 -0.712145D+00
      3  -0.751187D+00 -0.113296D+01 -0.857384D+00 -0.712145D+00 -0.485159D+00
               226           227           228           229           230 
      1   0.287254D+01  0.234288D+01 -0.107368D+01  0.199323D+01  0.153924D+01
      2   0.234288D+01  0.271372D+01 -0.706188D+00  0.153924D+01  0.431761D+01
      3  -0.107368D+01 -0.706188D+00  0.116497D+01 -0.816883D+00 -0.116400D+01
               231           232           233           234 
      1  -0.816883D+00 -0.204432D+01 -0.128359D+01  0.156445D+01
      2  -0.116400D+01 -0.128359D+01 -0.344499D+01  0.127183D+01
      3   0.848100D+00  0.156445D+01  0.127183D+01 -0.192893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.195803D+01 -0.152453D+01  0.289016D+01  0.852607D+00 -0.308286D+01
      2  -0.643126D+01  0.678599D+01 -0.502632D+01  0.587806D+01  0.484123D+01
      3   0.805386D+01 -0.726978D+01 -0.679502D+01 -0.183833D+01  0.547312D+01
                 6             7             8             9            10 
      1  -0.137054D+01  0.341654D+01  0.927992D+01  0.253015D+01 -0.157313D+01
      2  -0.424227D+00 -0.994779D+01 -0.606782D+01 -0.362153D+00  0.195041D+01
      3  -0.169732D+01 -0.966881D+01 -0.260053D+01 -0.281341D+01 -0.608432D+00
                11            12            13            14            15 
      1  -0.314854D+01 -0.408604D+01 -0.289911D+01 -0.109229D+02 -0.376493D+01
      2  -0.201054D+01  0.290421D+00 -0.288611D+01  0.208724D+01  0.629578D+00
      3   0.698184D+01  0.424840D+01  0.110820D+02 -0.496961D+01 -0.303843D+00
                16            17            18            19            20 
      1  -0.504528D+01  0.538818D+01  0.147717D+02 -0.219477D+01  0.195387D+01
      2  -0.445633D+01  0.687333D+00 -0.517489D+01  0.202102D+01  0.656146D+01
      3   0.574596D+01  0.270972D+00  0.312262D+01  0.405823D+01 -0.214198D+01
                21            22            23            24            25 
      1  -0.629649D+01 -0.153402D+01 -0.902366D+01  0.715602D+01 -0.867759D+01
      2  -0.545319D+01  0.250643D+01 -0.632805D+01  0.771042D+01 -0.136837D+02
      3  -0.485100D+01  0.107300D+02 -0.173207D+02  0.746911D+01  0.977347D+00
                26            27            28            29            30 
      1   0.135295D+02  0.233347D+01 -0.851115D+01 -0.422604D+00  0.544079D+01
      2   0.740152D+01 -0.200673D+01 -0.798802D+01  0.399362D+01  0.678914D+01
      3   0.261995D+01 -0.134302D+00  0.834582D+01 -0.132552D+02  0.403965D+01
                31            32            33            34            35 
      1  -0.323375D+01  0.108223D+02 -0.821035D+01  0.184298D+01 -0.395501D+00
      2  -0.201114D+01  0.145346D+02 -0.778218D+01 -0.125038D+01 -0.414222D+01
      3  -0.720588D+00  0.466152D+01 -0.119026D+02  0.867675D+01 -0.161380D+02
                36            37            38            39            40 
      1   0.294264D+01 -0.737184D+00 -0.153821D+01  0.251711D+01 -0.424054D+01
      2  -0.247420D+01  0.105050D+02 -0.727030D+01 -0.137732D+01 -0.288967D+01
      3   0.206638D+01 -0.191861D+01 -0.734798D+00  0.145336D+01  0.811968D+01
                41            42            43            44            45 
      1   0.674824D+01 -0.835432D+01  0.617677D+01 -0.398543D+01 -0.219122D+01
      2   0.338504D+01 -0.171288D+01 -0.151899D+02  0.460409D+01  0.359564D+01
      3  -0.441592D+01 -0.190882D+01  0.196233D+01  0.575081D+00 -0.210249D+01
                46            47            48            49            50 
      1   0.338164D+01 -0.338179D+00 -0.137194D+01 -0.174638D+01 -0.338330D+01
      2  -0.125908D+02  0.120585D+01  0.853237D+01  0.297534D+01 -0.890197D+00
      3   0.392594D+01 -0.100379D+02 -0.187145D+01 -0.105893D+01 -0.129328D+02
                51            52            53            54            55 
      1  -0.166962D+01 -0.364915D+01  0.749657D+01  0.489497D+00  0.343330D+01
      2  -0.337108D+01  0.369239D+01 -0.697706D+01  0.355141D+01  0.241760D+01
      3  -0.142012D+01 -0.486078D+01  0.875857D+00  0.706652D+01 -0.266070D+01
                56            57            58            59            60 
      1   0.144350D+01  0.470170D+01  0.204403D+01  0.382337D+01 -0.461617D+01
      2   0.228887D+01  0.369591D+01  0.143986D+01  0.183344D+01 -0.120300D+01
      3  -0.412350D+01 -0.382760D+01  0.301660D+01  0.124775D+02 -0.169337D+01
                61            62            63            64            65 
      1   0.288577D+01  0.206648D+01 -0.104037D+02 -0.188146D+01  0.350445D+01
      2  -0.164691D+01 -0.248286D+01 -0.525012D+01 -0.182605D+01 -0.516916D+01
      3  -0.513613D+01 -0.353913D+01 -0.301186D+01  0.935507D+00 -0.685634D+01
                66            67            68            69            70 
      1  -0.956608D+01  0.646780D+01 -0.767325D+01  0.370365D+01 -0.687959D+01
      2   0.112738D+02 -0.274296D+01 -0.680044D+01  0.853928D+01  0.415276D+01
      3   0.738109D+01 -0.127132D+01 -0.967135D+00  0.310459D+01  0.522359D+01
                71            72            73            74            75 
      1   0.679552D+01  0.793168D+01 -0.285020D+01  0.613755D+00 -0.285400D+01
      2   0.673716D+01  0.644298D+01  0.257179D+01  0.141515D+01  0.634372D+01
      3   0.143582D+01  0.158342D+01  0.376029D+01 -0.400299D+01  0.222218D+01
                76            77            78            79            80 
      1   0.201230D+00 -0.531815D-01 -0.218030D+00 -0.306221D+01  0.135563D+01
      2  -0.545331D+00  0.449824D+00 -0.946073D+00  0.276737D+01  0.201633D+01
      3  -0.274381D+00  0.224481D+01 -0.995474D+00  0.459939D+01 -0.259310D+01
                81            82            83            84            85 
      1  -0.434835D+01  0.163504D+01  0.185144D+01  0.639680D-01  0.117356D+01
      2   0.902421D+01 -0.941092D+00 -0.103667D+01  0.146686D+01 -0.178765D+01
      3   0.241950D+01  0.205842D+01  0.568896D-02 -0.633032D+00  0.592732D+01
                86            87            88            89            90 
      1   0.948582D+01 -0.502291D+01  0.195599D+00 -0.205634D+01  0.175698D+00
      2  -0.136958D+01  0.889618D+00 -0.128034D+00  0.419567D+00  0.139307D+00
      3  -0.274283D+01  0.369403D+00 -0.196615D+01  0.598806D+00 -0.591729D+00
                91            92            93            94            95 
      1  -0.239529D+01 -0.501930D+00  0.282550D+01 -0.637754D+00 -0.136657D+01
      2   0.140224D+01  0.545398D+00 -0.534642D+00  0.120477D+01  0.589987D+00
      3  -0.229528D+01 -0.221215D+01  0.165831D+01 -0.634156D+00  0.995561D+00
                96            97            98            99           100 
      1   0.122338D+01  0.247040D+01  0.196455D+01 -0.176110D+02  0.733503D+01
      2  -0.477555D+00 -0.560540D+01  0.729460D+00  0.540557D+01  0.102639D+02
      3  -0.522265D+00  0.391152D+01 -0.729209D+00 -0.217743D+01 -0.107170D+02
               101           102           103           104           105 
      1  -0.108828D+01  0.361573D+01  0.236681D+00  0.286094D+00 -0.160698D+00
      2  -0.487281D+01  0.867372D+01  0.123973D+01 -0.140285D+01  0.460176D+00
      3  -0.361138D+01 -0.346256D+01 -0.102334D+01  0.112333D+01  0.505036D-01
               106           107           108           109           110 
      1   0.321886D+01  0.785135D+00  0.163480D+01  0.207483D+01 -0.184202D+01
      2   0.198000D+01  0.216987D+01  0.518496D+01 -0.202731D+00 -0.259551D+01
      3  -0.869902D+01  0.831265D+00 -0.172394D+01  0.251635D+01  0.333367D+01
               111           112           113           114           115 
      1  -0.194692D+01  0.156418D+01 -0.257283D+01 -0.588503D+01 -0.212679D+01
      2  -0.857685D+00 -0.136051D+01 -0.693578D+01 -0.411037D+01 -0.924776D+00
      3   0.237693D+01  0.227517D+01  0.190703D+02  0.752046D+01  0.125077D+01
               116           117           118           119           120 
      1   0.151985D+01 -0.338651D+01  0.778277D+00  0.603071D+00 -0.151331D+00
      2  -0.484558D+01 -0.242441D+01 -0.513787D+00 -0.542708D+00  0.912262D+00
      3   0.119847D+02  0.392005D+01  0.676771D-01 -0.829986D+00 -0.236686D+00
               121           122           123           124           125 
      1  -0.339331D+00  0.578323D+01 -0.150054D+01  0.187404D-01  0.353164D+01
      2  -0.319330D+01 -0.267186D+00  0.237487D+00 -0.269749D+01 -0.542837D+00
      3   0.517939D+01  0.145251D+00  0.229696D+00  0.133842D+01  0.138477D+00
               126           127           128           129           130 
      1  -0.102460D+01 -0.890933D+01  0.224232D+01  0.269974D+01  0.578873D+01
      2  -0.437572D+00  0.131889D+02  0.129867D+01  0.980614D+01  0.209702D+01
      3   0.290210D+00  0.220810D+01  0.126695D+01  0.659081D+01  0.586294D+01
               131           132           133           134           135 
      1   0.144738D+02 -0.855771D+01  0.313429D+01 -0.594708D+00 -0.626080D+01
      2  -0.229426D+01  0.224601D+01  0.529190D+01  0.279655D+01 -0.361310D+01
      3   0.686080D+01 -0.106562D+01  0.671651D+01 -0.120165D+00 -0.545368D+01
               136           137           138           139           140 
      1  -0.210294D+01 -0.152578D+00  0.273540D+01 -0.116264D+01 -0.155400D+01
      2   0.115008D+02 -0.193541D+01 -0.816398D+01 -0.281167D+01 -0.187877D+01
      3  -0.804019D+01  0.547789D+01  0.344867D+01  0.144492D+02  0.197620D+02
               141           142           143           144           145 
      1  -0.517535D+01  0.395851D+01 -0.887101D+00  0.409033D+01 -0.162070D+01
      2   0.906793D+01 -0.181475D+02  0.898126D+01 -0.106878D+02  0.723607D-01
      3   0.329213D+01  0.380823D+01  0.287305D+01 -0.117224D+02 -0.741355D+01
               146           147           148           149           150 
      1   0.208212D+00  0.325218D+01  0.369717D+00 -0.133720D+01 -0.419608D+01
      2   0.504809D+00  0.353395D+01 -0.501589D+00 -0.473729D+00 -0.241737D+01
      3  -0.127669D+01  0.929838D+00  0.492601D+01  0.253734D+00  0.200399D+00
               151           152           153           154           155 
      1   0.163659D+01 -0.589475D+00 -0.632607D+00  0.298799D+01  0.307261D+01
      2  -0.441458D+00 -0.115661D+01 -0.550738D+00 -0.986606D+01  0.216738D+00
      3   0.173825D+01  0.111073D+01 -0.188611D+00 -0.588299D+01 -0.191964D+01
               156           157           158           159           160 
      1   0.413010D+01  0.101482D+01  0.131227D+01 -0.592547D+00  0.325712D+01
      2  -0.230464D+01 -0.477107D+00 -0.636342D+00 -0.705401D+00 -0.668449D+01
      3  -0.313940D+01  0.991518D+00 -0.457705D-01 -0.384291D+00 -0.330713D+01
               161           162           163           164           165 
      1   0.261159D+01  0.351385D+01 -0.160244D+01 -0.493702D+01 -0.581531D+00
      2  -0.204704D+00 -0.215065D+01  0.959852D+01  0.470641D+01 -0.362384D+01
      3  -0.119038D+01 -0.301099D+01  0.585531D+01  0.149561D+01 -0.323141D+01
               166           167           168           169           170 
      1  -0.220153D+01 -0.389100D+01 -0.158348D+01  0.378134D+00  0.253677D+01
      2   0.454213D+01  0.480179D+01 -0.304382D+01 -0.471152D+01 -0.316109D+01
      3   0.460490D+01  0.198997D+01 -0.227261D+01 -0.276568D+01 -0.539520D+00
               171           172           173           174           175 
      1   0.432156D-01  0.410093D+01  0.380395D+01  0.231950D+01  0.211281D+01
      2   0.289869D+01 -0.178007D+02 -0.174726D+01 -0.343042D+01 -0.207489D+01
      3   0.225298D+01 -0.714593D+01 -0.212370D+01 -0.241714D+01  0.585554D+00
               176           177           178           179           180 
      1   0.909414D+00  0.260623D+00  0.216660D+01  0.230462D+01  0.231818D+01
      2  -0.157776D+01 -0.512437D+00 -0.667014D+01 -0.725129D+00 -0.382177D+01
      3  -0.928004D+00  0.937003D-02 -0.248558D+01 -0.753254D+00 -0.149569D+01
               181           182           183           184           185 
      1  -0.937822D+00 -0.178109D+01 -0.694777D+00 -0.307722D+01 -0.158360D+02
      2  -0.751007D+00  0.828113D+00  0.692970D+00  0.303475D+01 -0.238922D+00
      3  -0.115801D+01 -0.119278D+01  0.103025D+00  0.336989D+01 -0.875286D+01
               186           187           188           189           190 
      1  -0.160143D+01 -0.451400D+00  0.686537D+00 -0.123395D+01  0.500671D+01
      2   0.206992D+01 -0.912397D+00  0.274128D+00  0.388026D+00  0.412189D+01
      3   0.226290D+01 -0.731125D-01 -0.284191D+00 -0.170996D+00  0.364386D+01
               191           192           193           194           195 
      1  -0.409848D+01 -0.493387D+01 -0.276848D+01  0.222479D+01  0.307383D+01
      2  -0.109511D+01  0.871698D+00 -0.250056D+01  0.274009D-02 -0.127296D+01
      3  -0.365108D+01 -0.334035D+01 -0.145313D+01  0.138793D+01  0.201588D+01
               196           197           198           199           200 
      1  -0.399991D+01  0.465215D+01  0.714691D+01 -0.161109D+01  0.764937D+00
      2  -0.515306D+01 -0.211130D-01 -0.961928D+00  0.295913D+01 -0.231143D-01
      3  -0.296994D+01  0.232292D+01  0.366854D+01  0.283907D+01 -0.198627D+01
               201           202           203           204           205 
      1  -0.100624D+01  0.397575D+00 -0.162525D+01  0.140315D+01 -0.117113D+01
      2   0.499375D+01  0.847531D+00  0.337823D+01 -0.651290D+01  0.249664D+01
      3   0.150752D+01 -0.898125D+00  0.223683D+01 -0.386133D+01  0.107809D+01
               206           207           208           209           210 
      1   0.466981D+01 -0.515709D+01  0.174087D+01 -0.821657D+00 -0.987872D+00
      2  -0.540399D+01  0.176269D+02 -0.934325D+01  0.168347D+01  0.976801D+01
      3  -0.604509D+01  0.632676D+01  0.798492D+01 -0.653668D+01 -0.297762D+01
               211           212           213           214           215 
      1  -0.356354D+00  0.800816D+00 -0.309412D+00 -0.169338D+01  0.168326D+01
      2   0.301963D+01 -0.207227D+01 -0.455166D+01  0.746341D+01 -0.270710D+01
      3  -0.447049D+01  0.227383D+01  0.195426D+01 -0.436541D+01  0.476826D+01
               216           217           218           219           220 
      1   0.901693D+00  0.533682D+00  0.350913D+00 -0.415157D+00  0.348110D+00
      2  -0.874681D+01 -0.666052D+00  0.115980D-02  0.194342D+01  0.260531D+00
      3   0.398433D+01 -0.271245D+01 -0.373515D+01 -0.590175D+00 -0.431788D+01
               221           222           223           224           225 
      1   0.267356D+01 -0.395252D+01 -0.421325D+00  0.588160D+00 -0.387189D+00
      2   0.106701D+01  0.410456D+01  0.146959D+01  0.119569D+01  0.114086D+01
      3  -0.233368D+02 -0.172451D+01 -0.107623D+01 -0.162750D+01 -0.123337D+01
               226           227           228           229           230 
      1   0.196115D+01  0.178209D+01 -0.229963D+01  0.148176D+01  0.241796D+01
      2  -0.350923D+01 -0.317669D+01  0.485113D+01 -0.326329D+01 -0.380500D+01
      3  -0.183754D+01 -0.246918D+01  0.853660D+00  0.260375D+01 -0.840593D+01
               231           232           233           234 
      1  -0.374621D+01 -0.144186D+01 -0.353185D+01  0.237319D+01
      2   0.308893D+01  0.317391D+01  0.428703D+01 -0.687826D+01
      3   0.141601D+01  0.346809D+00  0.575420D+01 -0.870398D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.820849D+01 -0.930673D+01 -0.613885D+01 -0.244335D+01 -0.670260D+00
      2   0.723210D+01  0.619320D+01  0.848877D+01  0.705343D+00  0.225126D+01
      3   0.976389D+00  0.311353D+01 -0.234991D+01  0.173801D+01 -0.158100D+01
      4  -0.731441D+01 -0.184738D+02  0.235935D+01 -0.284521D+01 -0.231373D+02
      5  -0.922897D+01  0.183003D+00 -0.168356D+02  0.711741D+01  0.405838D+01
      6  -0.144090D+01  0.776091D+01 -0.223492D+01  0.448474D+01  0.430064D+01
                 6             7             8             9            10 
      1   0.752858D+01 -0.795696D+01  0.750506D+01 -0.134892D+02 -0.460252D+01
      2  -0.242385D+01  0.115029D+02  0.324395D+00  0.113426D+02  0.436294D+01
      3  -0.510473D+01 -0.354595D+01 -0.782945D+01  0.214655D+01  0.239576D+00
      4   0.707515D+01  0.800327D+01  0.171483D+02 -0.113167D+02 -0.960718D+00
      5   0.850038D+00 -0.210148D+02 -0.531305D+01 -0.854328D+01  0.234085D+01
      6  -0.193589D+01 -0.590354D+01 -0.640929D+01 -0.381842D-01  0.696867D+01
                11            12            13            14            15 
      1   0.863901D+01 -0.166959D+01  0.122745D+02  0.215356D+02 -0.241192D+01
      2  -0.129341D+02 -0.336204D+00 -0.150407D+02 -0.436827D+02  0.716171D+00
      3   0.429509D+01  0.200579D+01  0.276622D+01  0.221471D+02  0.169575D+01
      4  -0.256263D+01  0.198691D+01  0.166799D+01 -0.133568D+02 -0.657687D+00
      5   0.141717D+01  0.128868D+01  0.120135D+01 -0.340293D+01  0.736950D+00
      6  -0.160068D+01  0.694020D+01 -0.333211D+01 -0.310127D+01  0.398815D+01
                16            17            18            19            20 
      1  -0.182290D+01 -0.400128D+01  0.150509D+02 -0.184957D+02  0.916418D+01
      2  -0.316982D+01  0.112024D+02  0.789435D+01 -0.635787D+01  0.117197D+02
      3   0.499272D+01 -0.720109D+01 -0.229453D+02  0.248536D+02 -0.208839D+02
      4   0.209370D+01 -0.207006D+01  0.374231D+01  0.559654D+02 -0.388520D+02
      5   0.396999D+01  0.847413D+00  0.307328D+01  0.236626D+02 -0.708392D+01
      6   0.576165D+01  0.128493D+01 -0.173737D+02 -0.103954D+02  0.113234D+01
                21            22            23            24            25 
      1   0.132741D+02  0.225773D+02 -0.176145D+02 -0.111565D+02 -0.172186D+01
      2  -0.938350D+01 -0.284510D+01 -0.805770D+01  0.156888D+02 -0.844293D+00
      3  -0.389062D+01 -0.197322D+02  0.256722D+02 -0.453230D+01  0.256615D+01
      4  -0.739199D+01 -0.481152D+02  0.623812D+02  0.176397D+00 -0.376261D+01
      5  -0.104462D+02 -0.193304D+02  0.462748D+01  0.164470D+02  0.974349D+01
      6   0.107480D+02  0.707568D+01  0.324779D+01 -0.656837D+01  0.632713D+00
                26            27            28            29            30 
      1  -0.293197D+01 -0.423510D+01  0.681298D+01 -0.110353D+02 -0.231704D+02
      2   0.594137D+01 -0.823419D+01  0.495418D+01 -0.811225D+01  0.158058D+02
      3  -0.300940D+01  0.124693D+02 -0.117672D+02  0.191476D+02  0.736464D+01
      4  -0.333823D+01  0.870366D+01 -0.366019D+02  0.449220D+02  0.205066D+02
      5   0.137876D+01 -0.419593D+01 -0.431949D+02  0.176935D+02  0.181923D+02
      6   0.706233D+01 -0.148369D+01  0.211686D+02 -0.122870D+02 -0.970337D+01
                31            32            33            34            35 
      1  -0.148214D+02  0.200096D+02  0.175728D+02 -0.367131D+02  0.249169D+02
      2  -0.949302D+01  0.684013D+01 -0.221517D+02  0.243966D+02 -0.298386D+02
      3   0.243145D+02 -0.268497D+02  0.457888D+01  0.123165D+02  0.492171D+01
      4   0.531997D+02 -0.521780D+02  0.895269D+01  0.161286D+02  0.112318D+02
      5   0.893196D+01  0.975363D+01 -0.124415D+02  0.250373D+02 -0.186412D+02
      6  -0.435796D+01 -0.208527D+02  0.777845D+01 -0.145861D+02  0.141787D+02
                36            37            38            39            40 
      1   0.350142D+01  0.727602D+01 -0.601330D+01  0.196943D+01 -0.103028D+02
      2  -0.483713D+01  0.388563D+01 -0.118477D+00 -0.427248D+01 -0.383877D+00
      3   0.133571D+01 -0.111616D+02  0.613178D+01  0.230305D+01  0.106867D+02
      4  -0.176554D+02 -0.317661D+02  0.119572D+02  0.429376D+01  0.537968D+01
      5  -0.115925D+02 -0.474464D+01  0.151463D+00  0.958003D+00  0.353451D+01
      6  -0.126219D+01  0.419355D+01 -0.683800D+01 -0.412493D+01 -0.789021D+01
                41            42            43            44            45 
      1   0.245789D+02  0.773792D+01  0.146554D+02  0.528064D+01  0.444726D+01
      2  -0.666825D+01 -0.334684D+01 -0.929739D+01 -0.748043D+01 -0.896069D+00
      3  -0.179107D+02 -0.439109D+01 -0.535806D+01  0.219979D+01 -0.355119D+01
      4  -0.957674D+01 -0.201372D+01  0.124016D+02 -0.551750D+01 -0.597715D+01
      5  -0.576924D+01  0.227694D+01 -0.576473D+01  0.339857D+01 -0.194808D+01
      6  -0.369559D+01 -0.193549D+02 -0.153935D+01 -0.161433D+02 -0.154437D+01
                46            47            48            49            50 
      1  -0.127096D+02 -0.511514D+01 -0.126710D+02 -0.239194D+01  0.132732D+00
      2   0.228339D+00  0.316057D+01  0.107402D+02  0.646452D+01  0.897164D+00
      3   0.124813D+02  0.195457D+01  0.193080D+01 -0.407258D+01 -0.102990D+01
      4   0.310568D+01  0.350783D+01 -0.842219D+01  0.112948D+01  0.197886D+02
      5  -0.133447D+02 -0.152886D+01  0.837586D+01 -0.716605D+00 -0.164969D+01
      6  -0.550403D+01  0.376793D-01  0.330800D+01  0.893270D+00 -0.719583D+01
                51            52            53            54            55 
      1  -0.635685D+01 -0.168880D+02 -0.406554D+01  0.858709D+01 -0.429769D+01
      2  -0.289649D+01  0.127802D+02  0.149438D+01 -0.642304D+01 -0.752869D+01
      3   0.925334D+01  0.410776D+01  0.257117D+01 -0.216405D+01  0.118264D+02
      4  -0.157380D+01 -0.182096D+02  0.801726D-01  0.196772D+01  0.179683D+02
      5  -0.407197D+01  0.106586D+02 -0.441658D+01  0.187391D+01  0.455751D+01
      6   0.282268D+01  0.375820D+01 -0.305933D+00  0.273957D+00 -0.509567D+01
                56            57            58            59            60 
      1   0.169585D+01  0.363226D+01 -0.203258D+01 -0.135897D+02  0.809209D+00
      2   0.126079D+02 -0.483178D+01  0.101468D+02  0.697060D+01  0.546429D+00
      3  -0.143038D+02  0.119952D+01 -0.811418D+01  0.661907D+01 -0.135564D+01
      4  -0.218786D+02 -0.498698D+01 -0.205814D+02  0.113907D+02  0.598696D+01
      5  -0.367449D+01 -0.119394D+01 -0.619395D+01  0.637212D+01  0.299341D+01
      6  -0.141001D+01 -0.746205D+01  0.948132D+00  0.339011D+01 -0.789289D+00
                61            62            63            64            65 
      1   0.316742D+01  0.354075D+01  0.243319D+01  0.659739D+01  0.960976D+01
      2  -0.218660D+01 -0.920738D+01  0.471923D+01  0.599016D+01 -0.688101D+01
      3  -0.980815D+00  0.566663D+01 -0.715242D+01 -0.125876D+02 -0.272875D+01
      4  -0.199294D+01  0.784738D+01 -0.264129D+01 -0.689911D-01 -0.517626D+01
      5   0.100478D+01 -0.272840D-01 -0.948205D+00 -0.503080D+01  0.762148D+01
      6  -0.501803D+01  0.304682D+01  0.104833D+02  0.122087D+02  0.147081D+02
                66            67            68            69            70 
      1  -0.356933D+01  0.145427D+02 -0.942675D+01 -0.189301D+01  0.414900D+00
      2   0.142981D+02 -0.380331D+01  0.383507D+01 -0.642745D+01  0.112306D+02
      3  -0.107288D+02 -0.107394D+02  0.559168D+01  0.832046D+01 -0.116455D+02
      4   0.745181D+01 -0.332469D+01 -0.408084D+01  0.365229D+01  0.732752D-01
      5  -0.171108D+02  0.208963D+01  0.869415D+01 -0.954450D+01 -0.150190D+02
      6  -0.184184D+01  0.131590D+02 -0.113207D+02 -0.314897D+00  0.198201D+01
                71            72            73            74            75 
      1  -0.551729D+01 -0.591197D+01  0.236927D+02  0.236138D+01  0.108771D+02
      2   0.975055D+00 -0.191176D+01 -0.178154D+02 -0.195572D+01 -0.115415D+02
      3   0.454224D+01  0.782373D+01 -0.587739D+01 -0.405666D+00  0.664422D+00
      4   0.604851D+01  0.268640D+01  0.830312D+01  0.950384D+01  0.540981D+01
      5  -0.265667D+01 -0.488215D+01  0.199434D+02  0.331447D+01  0.181145D+02
      6  -0.308780D+01  0.240425D+01  0.240302D+01  0.143324D+01  0.343061D+01
                76            77            78            79            80 
      1  -0.486130D+01  0.103642D+01 -0.255027D+01  0.146038D+02 -0.404554D+00
      2   0.435581D+01 -0.425256D+00  0.332260D+01 -0.152734D+02 -0.224845D-01
      3   0.505495D+00 -0.611159D+00 -0.772331D+00  0.669534D+00  0.427038D+00
      4   0.577447D+01  0.743057D+00  0.244732D+01  0.686590D+01  0.388933D+01
      5  -0.320480D+01  0.350890D+01 -0.241271D+01  0.225187D+02  0.502528D+01
      6   0.214536D+01 -0.177885D+00  0.380942D+01  0.382690D+01  0.498718D+01
                81            82            83            84            85 
      1   0.719772D+01 -0.388649D+00 -0.262349D+01 -0.344247D+00 -0.355460D+01
      2  -0.159604D+02  0.647345D+01  0.843203D+01  0.959066D+00  0.971289D+01
      3   0.876269D+01 -0.608480D+01 -0.580854D+01 -0.614820D+00 -0.615829D+01
      4   0.794991D+01  0.672678D+01  0.135974D+02  0.823768D+00  0.117439D+02
      5   0.256233D+02  0.148748D+01  0.225119D+01  0.208361D+01  0.209979D+01
      6   0.509734D+01  0.907693D+00  0.253715D+01  0.723528D+00  0.319607D+01
                86            87            88            89            90 
      1  -0.391803D+02 -0.360672D+01  0.199343D+00  0.295855D+01 -0.539991D+01
      2   0.722265D+02  0.326335D+01 -0.740852D+00 -0.799363D+01  0.419808D+01
      3  -0.330463D+02  0.343369D+00  0.541509D+00  0.503508D+01  0.120183D+01
      4   0.218356D+02  0.202912D+01 -0.157873D+01 -0.235013D+01  0.134398D+01
      5   0.294228D+01  0.192432D+01  0.103607D+01  0.190877D+01 -0.280060D+00
      6   0.141547D+02  0.955479D+01  0.359889D+00  0.799991D+01  0.135052D+01
                91            92            93            94            95 
      1  -0.836944D+00  0.104084D+01  0.343590D+01 -0.167607D+01 -0.548192D+01
      2  -0.343138D+01 -0.277890D+00 -0.440112D-01  0.859503D+00  0.551093D+01
      3   0.426832D+01 -0.762951D+00 -0.339189D+01  0.816563D+00 -0.290098D-01
      4  -0.199693D+01  0.327269D+01  0.299552D+01  0.693540D+00 -0.203168D+00
      5  -0.209307D+01  0.920904D+00  0.621698D+01 -0.330605D+00 -0.162994D+00
      6   0.223726D+01 -0.256177D+01 -0.484374D+01 -0.103167D+01  0.319256D+01
                96            97            98            99           100 
      1  -0.137907D+01  0.423020D+01 -0.852021D+01 -0.251270D+02  0.613886D+02
      2   0.321515D+01  0.903537D+00  0.347840D+01 -0.126744D+02 -0.283130D+02
      3  -0.183607D+01 -0.513373D+01  0.504181D+01  0.378015D+02 -0.330756D+02
      4  -0.232755D+00  0.374888D+01  0.222242D+00 -0.495136D-01 -0.323945D+02
      5  -0.636543D+00  0.554439D+01  0.712445D+00  0.219075D+01  0.173459D+02
      6   0.465538D+01 -0.248681D+01  0.127289D+02  0.287955D+02 -0.102705D+02
               101           102           103           104           105 
      1  -0.106608D+02  0.146713D+02 -0.726567D+00  0.430033D+01  0.893227D+00
      2   0.118946D+01 -0.738029D+01 -0.369782D+01  0.296059D+01 -0.274889D+00
      3   0.947136D+01 -0.729101D+01  0.442439D+01 -0.726092D+01 -0.618339D+00
      4   0.184708D+02 -0.972275D+01  0.124650D+02 -0.984018D+01 -0.434564D+00
      5  -0.581102D+01  0.118397D+02  0.327535D+01 -0.137240D+01 -0.269744D+00
      6   0.408823D+01 -0.624270D+01 -0.533495D+00  0.171105D+01  0.166646D+01
               106           107           108           109           110 
      1   0.314080D+02 -0.770659D+01  0.764900D+01  0.403618D+01 -0.980953D+01
      2  -0.170973D+02  0.348996D+01 -0.631739D+01  0.172464D+01  0.687106D+01
      3  -0.143107D+02  0.421662D+01 -0.133162D+01 -0.576082D+01  0.293847D+01
      4  -0.139334D+02  0.348159D+01 -0.333706D+01 -0.503769D+01  0.425725D+01
      5   0.906464D+01 -0.299497D-01  0.933238D+01  0.168996D+01 -0.261966D+01
      6  -0.378264D+01  0.153530D+01 -0.339968D+01 -0.111619D+00  0.616782D+01
               111           112           113           114           115 
      1  -0.259023D+01 -0.357389D+01 -0.247027D+02 -0.101342D+02  0.647398D+00
      2   0.242008D+01 -0.183426D+01  0.416435D+02  0.121757D+02 -0.255614D+01
      3   0.170147D+00  0.540815D+01 -0.169408D+02 -0.204147D+01  0.190874D+01
      4  -0.246262D+01  0.136010D+02 -0.312144D+02 -0.112026D+02  0.485463D+00
      5  -0.104219D+01  0.389108D+01 -0.135027D+02 -0.892292D+01  0.520226D+00
      6   0.363221D+01 -0.383712D+01  0.215419D+02  0.135221D+02  0.517651D+00
               116           117           118           119           120 
      1  -0.159756D+02 -0.874801D+01 -0.476093D-01 -0.135592D+01 -0.153453D+01
      2   0.209882D+02  0.684232D+01  0.169852D+00  0.666741D+00  0.203057D+00
      3  -0.501258D+01  0.190569D+01 -0.122243D+00  0.689177D+00  0.133147D+01
      4  -0.118085D+02 -0.409487D+01  0.236603D+01  0.727780D+01  0.344983D+01
      5  -0.553624D+01 -0.410897D+01  0.813986D+00  0.448435D+01  0.553189D+01
      6   0.113823D+02  0.916250D+01  0.468931D+01  0.185650D+01  0.272342D+01
               121           122           123           124           125 
      1  -0.293091D+01 -0.179842D+02 -0.128585D+02 -0.437196D+00 -0.999802D+01
      2   0.155158D+01  0.154865D+02  0.509317D+01  0.439473D+00  0.271648D+01
      3   0.137933D+01  0.249774D+01  0.776533D+01 -0.227724D-02  0.728154D+01
      4   0.671072D+01  0.494218D+01  0.271137D+01  0.111731D+01  0.210002D+01
      5   0.371387D+01  0.139131D+01  0.195907D+01  0.348536D+01  0.131599D+01
      6   0.206205D+01  0.219604D+02  0.187946D+02  0.237820D+01  0.163134D+02
               126           127           128           129           130 
      1  -0.145597D+02  0.116038D+02  0.370605D+01  0.669845D+01  0.593113D+01
      2  -0.124329D+01  0.106277D+02 -0.655749D+01 -0.124005D+02 -0.124814D+02
      3   0.158030D+02 -0.222315D+02  0.285145D+01  0.570208D+01  0.655026D+01
      4   0.304649D+01  0.738493D+01  0.674616D+00  0.382003D+01 -0.128480D+01
      5   0.116228D+01  0.577770D+01 -0.476088D+01 -0.204556D+02 -0.633100D+01
      6   0.157374D+02 -0.454187D+00  0.363580D+01  0.259420D+01  0.556785D+01
               131           132           133           134           135 
      1   0.908368D+01  0.229812D+01  0.629105D+01  0.524323D+01 -0.119474D+02
      2  -0.238535D+02  0.134852D+02 -0.116465D+02  0.538331D+01  0.122571D+02
      3   0.147698D+02 -0.157834D+02  0.535549D+01 -0.106265D+02 -0.309761D+00
      4  -0.176397D+02  0.190740D+01  0.558656D+01  0.687889D-01  0.151669D+01
      5   0.432213D+01  0.959369D+01 -0.204123D+02  0.564983D+01  0.107844D+02
      6   0.209680D+02  0.930168D+00  0.990249D+00  0.445598D+01 -0.120854D+02
               136           137           138           139           140 
      1  -0.112460D+01  0.155734D+02  0.239609D+02  0.219182D+02  0.886665D+00
      2   0.289462D+01 -0.118712D+02 -0.116226D+02 -0.200017D+02 -0.145156D+02
      3  -0.177002D+01 -0.370212D+01 -0.123383D+02 -0.191656D+01  0.136290D+02
      4   0.144159D+02 -0.587894D+01  0.223695D+01 -0.116445D+02 -0.353656D+02
      5   0.251827D+02 -0.105941D+01 -0.137504D+02 -0.276575D+01 -0.380426D+01
      6   0.392180D+01 -0.920592D+00 -0.156465D+01 -0.183407D+01 -0.592503D+01
               141           142           143           144           145 
      1  -0.104910D+01  0.290758D+02 -0.212480D+01 -0.184093D+02  0.155904D+02
      2  -0.186969D+01 -0.140397D+02 -0.214124D+01  0.159898D+02  0.312961D+01
      3   0.291878D+01 -0.150361D+02  0.426604D+01  0.241951D+01 -0.187200D+02
      4  -0.331535D+01  0.290351D+01 -0.353850D+01  0.118131D+02 -0.301521D+02
      5   0.144940D+02 -0.202232D+02  0.134463D+02 -0.150100D+02 -0.399218D+01
      6   0.196796D+01 -0.177205D+01  0.263988D+01 -0.126615D+01  0.194028D+01
               146           147           148           149           150 
      1  -0.449767D+01 -0.181794D+01 -0.152832D+01 -0.463514D+01 -0.540426D+00
      2  -0.114977D+02  0.123344D+00 -0.113381D+02  0.223314D+02  0.282861D+01
      3   0.159954D+02  0.169459D+01  0.128664D+02 -0.176963D+02 -0.228818D+01
      4   0.275852D+02  0.376442D+01  0.231319D+02 -0.259656D+02 -0.331685D+01
      5   0.236368D+01  0.605845D+01  0.187846D+01 -0.255171D+01 -0.270188D+01
      6  -0.174747D+01 -0.367770D+01 -0.137182D+01  0.237430D+01  0.658007D+01
               151           152           153           154           155 
      1  -0.153646D+01 -0.659515D+00 -0.119364D+01  0.357474D+01  0.251964D+01
      2   0.145927D+00  0.341705D+01  0.203462D+01 -0.122519D+02 -0.200858D+00
      3   0.139053D+01 -0.275754D+01 -0.840987D+00  0.867714D+01 -0.231879D+01
      4   0.383829D+01 -0.388792D+01 -0.517692D+01 -0.450660D+01  0.471266D+01
      5   0.564327D+01 -0.425329D+01 -0.235171D+01  0.194170D+02 -0.497069D+01
      6  -0.388625D+01  0.769433D+01  0.110026D+01 -0.870551D+01  0.520008D+01
               156           157           158           159           160 
      1  -0.443688D+01 -0.126210D+01 -0.619544D+00  0.946496D+00 -0.247680D+01
      2  -0.123321D+02 -0.588628D+00 -0.752883D+00 -0.163704D+01 -0.106180D+02
      3   0.167690D+02  0.185073D+01  0.137243D+01  0.690543D+00  0.130948D+02
      4  -0.545788D+01  0.498120D+01 -0.143725D+01  0.241149D+01 -0.421523D+01
      5   0.189491D+02 -0.109985D+01  0.301327D+01 -0.897590D+00  0.167090D+02
      6  -0.960995D+01  0.260545D+01 -0.221874D+01  0.678477D+01 -0.648075D+01
               161           162           163           164           165 
      1   0.362660D+01 -0.113534D+02 -0.296871D+01 -0.802179D+01  0.895211D+01
      2   0.692400D+00 -0.161336D+02 -0.148045D+01  0.485912D+01  0.145633D+01
      3  -0.431900D+01  0.274870D+02  0.444917D+01  0.316267D+01 -0.104084D+02
      4   0.245373D+01 -0.371096D+01  0.815258D+01  0.822893D+01 -0.666813D+01
      5  -0.291869D+01  0.198236D+02 -0.112512D+02 -0.745240D+01  0.127149D+02
      6   0.788891D+01 -0.124629D+02 -0.941654D+01 -0.137411D+02  0.128027D+02
               166           167           168           169           170 
      1  -0.475722D+01 -0.104109D+02  0.928897D+01  0.363085D+01  0.745389D+01
      2   0.273157D+01  0.998214D+01 -0.161753D+01  0.599264D+00 -0.594774D+00
      3   0.202565D+01  0.428765D+00 -0.767145D+01 -0.423011D+01 -0.685911D+01
      4   0.754534D+01  0.586076D+01 -0.464129D+01 -0.445783D+01 -0.412547D+01
      5  -0.550957D+01 -0.657657D+01  0.513551D+01  0.897512D+01  0.463239D+01
      6  -0.831889D+01 -0.141053D+02  0.148206D+02  0.600020D+01  0.120247D+02
               171           172           173           174           175 
      1  -0.106877D+02 -0.453891D+01  0.892861D+00 -0.105217D+02 -0.971518D+00
      2  -0.347992D+01 -0.414743D+01 -0.701405D+00 -0.422484D+01  0.146556D+01
      3   0.141677D+02  0.868634D+01 -0.191457D+00  0.147465D+02 -0.494044D+00
      4   0.437870D+01 -0.903784D+01  0.499261D+00 -0.194233D+01  0.144607D+01
      5  -0.752363D+01  0.131542D+02  0.161385D+01  0.799857D+01  0.178195D+01
      6  -0.142303D+02  0.221886D+00  0.460885D+01 -0.545262D+01  0.192438D+01
               176           177           178           179           180 
      1  -0.282169D+01 -0.619938D+00 -0.578143D+01 -0.152788D+00 -0.637554D+01
      2   0.364812D+01 -0.261286D+01 -0.251366D+01 -0.116755D+01 -0.620264D+01
      3  -0.826432D+00  0.323280D+01  0.829509D+01  0.132033D+01  0.125782D+02
      4   0.118178D+01  0.692487D-01 -0.258597D+01  0.540409D+00 -0.293057D+01
      5   0.145594D+01 -0.157000D+01  0.982396D+01 -0.738793D-02  0.483236D+01
      6  -0.154150D+01  0.203150D+01 -0.212445D+01  0.284990D+01 -0.187909D+01
               181           182           183           184           185 
      1  -0.240373D+00  0.130046D+01 -0.381964D+00 -0.201547D+00 -0.204189D+02
      2   0.137095D+01  0.179948D+01  0.143962D+01  0.489757D+01  0.370910D+02
      3  -0.113057D+01 -0.309994D+01 -0.105766D+01 -0.469603D+01 -0.166721D+02
      4   0.410603D+01  0.786340D+01 -0.228113D+01  0.109179D+02  0.208303D+02
      5  -0.243614D+01 -0.304711D+01  0.497983D+01 -0.474520D+01 -0.580742D+01
      6  -0.279136D+01 -0.316057D+01  0.118092D+01 -0.591473D+01 -0.294798D+02
               186           187           188           189           190 
      1   0.828529D+01  0.271080D+00  0.171013D+01 -0.241430D+01  0.878955D+01
      2  -0.507508D+01  0.180611D+01  0.168592D+01  0.836549D+00 -0.166464D+02
      3  -0.321020D+01 -0.207719D+01 -0.339605D+01  0.157775D+01  0.785688D+01
      4  -0.517683D+01  0.132893D+00  0.731081D+00  0.198060D+01  0.252701D+01
      5   0.446851D+01  0.307150D+01  0.127900D+01 -0.168579D+01 -0.225527D+02
      6   0.142687D+02  0.110851D+01  0.630843D+01 -0.267481D+01 -0.243998D+00
               191           192           193           194           195 
      1  -0.206383D+01 -0.709657D+00 -0.340158D+01 -0.726933D+00 -0.173084D+01
      2   0.383823D+01  0.163750D+02  0.678327D+01 -0.572373D+00 -0.863118D+01
      3  -0.177440D+01 -0.156653D+02 -0.338169D+01  0.129931D+01  0.103620D+02
      4   0.409763D+01 -0.311105D+01  0.285643D+01 -0.928422D+00 -0.276126D+01
      5   0.259652D+01  0.244111D+02  0.873115D+01 -0.533174D+01 -0.987245D+01
      6  -0.557945D+01  0.178860D+01 -0.413199D+01  0.207273D+01  0.485455D+01
               196           197           198           199           200 
      1  -0.165624D+01 -0.260250D+00 -0.672670D+01  0.912999D+01 -0.394286D+01
      2   0.134069D+02 -0.356892D+01 -0.215647D+02 -0.787406D+01  0.301814D+01
      3  -0.117506D+02  0.382917D+01  0.282914D+02 -0.125593D+01  0.924724D+00
      4  -0.240983D+01 -0.296099D+01  0.170324D+01 -0.274644D+01  0.303334D+01
      5   0.199642D+02 -0.294735D+01 -0.254413D+02  0.827777D+01 -0.296660D+01
      6   0.658113D+00  0.575409D+01 -0.107305D+01 -0.568134D+00  0.577750D+00
               201           202           203           204           205 
      1   0.559717D+01 -0.100791D+02  0.733891D+00 -0.173649D+01  0.139843D+02
      2  -0.613076D+01  0.676010D+01  0.195156D-01  0.352061D+01 -0.115593D+02
      3   0.533592D+00  0.331901D+01 -0.753406D+00 -0.178412D+01 -0.242505D+01
      4  -0.162187D+01  0.424688D+01 -0.205694D+01  0.570114D+01  0.383882D+00
      5   0.138864D+02 -0.521256D+01  0.548894D+01 -0.101667D+02  0.207314D+02
      6   0.664934D+00  0.728475D+00 -0.149675D+01  0.229087D+01  0.227169D+01
               206           207           208           209           210 
      1  -0.407626D+00  0.636974D+01  0.522013D+02 -0.851403D+01 -0.171677D+02
      2   0.335478D+01 -0.167870D+02 -0.283351D+02  0.529077D+01  0.982481D+01
      3  -0.294716D+01  0.104172D+02 -0.238662D+02  0.322326D+01  0.734290D+01
      4   0.853910D+01 -0.516207D+01 -0.245350D+01  0.897774D+01  0.115975D+01
      5  -0.692265D+01  0.329154D+02 -0.185258D+02  0.290231D+01  0.156869D+02
      6   0.325202D+01  0.327631D+01 -0.187283D+01 -0.111870D-01  0.194510D+01
               211           212           213           214           215 
      1  -0.190050D+02  0.640480D+01  0.449773D+01 -0.329615D+02  0.391830D+01
      2   0.111339D+02 -0.145284D+01 -0.257682D+01  0.189678D+02 -0.252101D+01
      3   0.787113D+01 -0.495196D+01 -0.192091D+01  0.139936D+02 -0.139729D+01
      4   0.102034D+02 -0.249491D+01 -0.381195D+01 -0.231346D+00 -0.701239D+01
      5   0.601443D+01 -0.369153D+01 -0.736554D+01  0.207469D+02 -0.458844D+01
      6  -0.691228D+00  0.152825D+01  0.137167D+01  0.159381D+01  0.138758D+01
               216           217           218           219           220 
      1   0.135037D+02  0.707545D+01  0.525376D+01 -0.116011D+01  0.107387D+02
      2  -0.114631D+02 -0.554954D+00 -0.599367D+00  0.925279D+00  0.353522D+01
      3  -0.204058D+01 -0.652049D+01 -0.465440D+01  0.234827D+00 -0.142739D+02
      4  -0.269269D+01  0.763430D+01  0.116427D+02  0.100369D+01  0.264657D+02
      5  -0.162787D+02 -0.682658D+00  0.162910D+01  0.323722D+01  0.407933D+01
      6  -0.128314D+01  0.686898D+00  0.830626D+00  0.338036D+00  0.327941D+01
               221           222           223           224           225 
      1  -0.468543D+01  0.269201D+00 -0.259317D+01 -0.110450D+00  0.111045D+01
      2   0.259889D+02  0.748640D+00  0.117917D+01  0.748165D+00  0.550823D-01
      3  -0.213035D+02 -0.101784D+01  0.141399D+01 -0.637715D+00 -0.116553D+01
      4   0.474590D+02  0.430382D+01  0.122477D+01  0.286914D+01  0.384441D+01
      5   0.442574D+01  0.714989D+01  0.616632D+01  0.381287D+01  0.275814D+01
      6   0.758056D+01  0.724976D+01  0.257153D+01  0.593530D+01  0.134683D+01
               226           227           228           229           230 
      1   0.160544D+02  0.109029D+02 -0.480156D+01  0.768955D+01  0.239239D+01
      2  -0.598928D+01 -0.278872D+01  0.124978D+01  0.103849D+00  0.604531D+01
      3  -0.100651D+02 -0.811419D+01  0.355178D+01 -0.779340D+01 -0.843770D+01
      4   0.186563D+02  0.215506D+02 -0.607621D+01  0.151582D+02  0.253375D+02
      5  -0.628598D+01 -0.305087D+01  0.764673D+01 -0.290000D+01 -0.643104D+01
      6  -0.467693D+01 -0.471728D+01  0.393799D+01 -0.453720D+01 -0.579477D+01
               231           232           233           234 
      1  -0.284839D+01 -0.102257D+02 -0.406223D+01  0.517112D+01
      2  -0.157364D+01  0.399296D+01 -0.210095D+01 -0.359841D+01
      3   0.442203D+01  0.623269D+01  0.616319D+01 -0.157271D+01
      4  -0.799841D+01 -0.116105D+02 -0.206419D+02  0.100679D+02
      5   0.284470D+01  0.954142D+01  0.712584D+01 -0.929222D+01
      6   0.655668D+01  0.544337D+01  0.804618D+01 -0.585441D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:27:17 2021, MaxMem=  5637144576 cpu:           58600.1 elap:            7403.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.03277 -10.02989 -10.02260 -10.02248 -10.01981
 Alpha  occ. eigenvalues --  -10.01724 -10.01428 -10.00755 -10.00231 -10.00039
 Alpha  occ. eigenvalues --   -0.96346  -0.86783  -0.83428  -0.81743  -0.76349
 Alpha  occ. eigenvalues --   -0.74072  -0.70201  -0.67609  -0.63002  -0.57951
 Alpha  occ. eigenvalues --   -0.56358  -0.55993  -0.53126  -0.51567  -0.51171
 Alpha  occ. eigenvalues --   -0.48828  -0.47523  -0.47140  -0.45911  -0.44914
 Alpha  occ. eigenvalues --   -0.44550  -0.42912  -0.41638  -0.39766  -0.38003
 Alpha  occ. eigenvalues --   -0.37072  -0.35742  -0.32052
 Alpha virt. eigenvalues --    0.03007   0.03721   0.03920   0.03991   0.05504
 Alpha virt. eigenvalues --    0.05521   0.05574   0.05777   0.06117   0.07582
 Alpha virt. eigenvalues --    0.07766   0.07957   0.08335   0.08717   0.08928
 Alpha virt. eigenvalues --    0.09668   0.11128   0.11466   0.12309   0.13035
 Alpha virt. eigenvalues --    0.13118   0.13267   0.13841   0.13925   0.14294
 Alpha virt. eigenvalues --    0.14649   0.14987   0.15440   0.15904   0.16028
 Alpha virt. eigenvalues --    0.16294   0.16605   0.17009   0.17577   0.17779
 Alpha virt. eigenvalues --    0.18111   0.18353   0.18966   0.19098   0.19709
 Alpha virt. eigenvalues --    0.20824   0.21174   0.21800   0.22270   0.22411
 Alpha virt. eigenvalues --    0.22535   0.23346   0.23513   0.23705   0.24401
 Alpha virt. eigenvalues --    0.24902   0.24966   0.25808   0.26158   0.26713
 Alpha virt. eigenvalues --    0.27746   0.27913   0.28560   0.28764   0.29016
 Alpha virt. eigenvalues --    0.29735   0.30454   0.31096   0.32216   0.32525
 Alpha virt. eigenvalues --    0.33239   0.33488   0.34298   0.34634   0.35660
 Alpha virt. eigenvalues --    0.35909   0.36368   0.37047   0.37467   0.37896
 Alpha virt. eigenvalues --    0.38722   0.38940   0.39396   0.40149   0.40485
 Alpha virt. eigenvalues --    0.42006   0.42483   0.42615   0.43227   0.43726
 Alpha virt. eigenvalues --    0.44021   0.44766   0.45189   0.45390   0.45889
 Alpha virt. eigenvalues --    0.46257   0.46963   0.47335   0.47504   0.48281
 Alpha virt. eigenvalues --    0.48789   0.49622   0.50391   0.51269   0.51389
 Alpha virt. eigenvalues --    0.51860   0.52614   0.53313   0.53897   0.54317
 Alpha virt. eigenvalues --    0.55236   0.56371   0.56782   0.56945   0.57804
 Alpha virt. eigenvalues --    0.58318   0.58548   0.59391   0.60339   0.60559
 Alpha virt. eigenvalues --    0.61378   0.62237   0.62605   0.62749   0.63468
 Alpha virt. eigenvalues --    0.63760   0.64259   0.64893   0.64959   0.65920
 Alpha virt. eigenvalues --    0.66877   0.67089   0.67628   0.68416   0.68848
 Alpha virt. eigenvalues --    0.69751   0.70184   0.70618   0.71012   0.71771
 Alpha virt. eigenvalues --    0.71944   0.72239   0.72593   0.73771   0.73860
 Alpha virt. eigenvalues --    0.74360   0.75175   0.75901   0.76147   0.76406
 Alpha virt. eigenvalues --    0.76762   0.78491   0.78626   0.78878   0.79179
 Alpha virt. eigenvalues --    0.79960   0.80793   0.81218   0.82241   0.83110
 Alpha virt. eigenvalues --    0.83274   0.83627   0.84061   0.84441   0.85665
 Alpha virt. eigenvalues --    0.86825   0.87170   0.87525   0.88521   0.89033
 Alpha virt. eigenvalues --    0.90338   0.91340   0.91746   0.92000   0.92863
 Alpha virt. eigenvalues --    0.95197   0.95709   0.96289   0.97540   0.97909
 Alpha virt. eigenvalues --    0.99242   1.02639   1.03324   1.03477   1.04057
 Alpha virt. eigenvalues --    1.06481   1.07351   1.07643   1.08965   1.09835
 Alpha virt. eigenvalues --    1.10425   1.12089   1.12975   1.14118   1.16215
 Alpha virt. eigenvalues --    1.16547   1.16920   1.17985   1.19185   1.23070
 Alpha virt. eigenvalues --    1.24062   1.24689   1.25902   1.27286   1.29260
 Alpha virt. eigenvalues --    1.29719   1.31997   1.33011   1.35188   1.36002
 Alpha virt. eigenvalues --    1.38305   1.39685   1.40591   1.43178   1.45210
 Alpha virt. eigenvalues --    1.46062   1.48198   1.49444   1.50613   1.51577
 Alpha virt. eigenvalues --    1.53518   1.54022   1.55093   1.56978   1.57464
 Alpha virt. eigenvalues --    1.58883   1.59781   1.61005   1.62060   1.63650
 Alpha virt. eigenvalues --    1.64416   1.65731   1.67712   1.68807   1.69349
 Alpha virt. eigenvalues --    1.69971   1.71120   1.71907   1.73371   1.75927
 Alpha virt. eigenvalues --    1.76224   1.76993   1.78061   1.79113   1.79262
 Alpha virt. eigenvalues --    1.81266   1.82904   1.85212   1.85871   1.87556
 Alpha virt. eigenvalues --    1.88914   1.89238   1.90030   1.90124   1.91636
 Alpha virt. eigenvalues --    1.93046   1.93600   1.95679   1.96787   1.97563
 Alpha virt. eigenvalues --    1.97682   2.00853   2.02046   2.02372   2.05062
 Alpha virt. eigenvalues --    2.05249   2.06326   2.07564   2.10050   2.10198
 Alpha virt. eigenvalues --    2.10840   2.12556   2.13489   2.14138   2.16100
 Alpha virt. eigenvalues --    2.16781   2.17604   2.18275   2.21214   2.21616
 Alpha virt. eigenvalues --    2.23184   2.23652   2.24537   2.25590   2.25938
 Alpha virt. eigenvalues --    2.27397   2.29148   2.29922   2.31070   2.32523
 Alpha virt. eigenvalues --    2.34295   2.34990   2.36439   2.37651   2.38511
 Alpha virt. eigenvalues --    2.40690   2.41259   2.43946   2.45204   2.47081
 Alpha virt. eigenvalues --    2.48230   2.48645   2.50822   2.52474   2.53483
 Alpha virt. eigenvalues --    2.54474   2.54746   2.56807   2.59274   2.59390
 Alpha virt. eigenvalues --    2.60891   2.61609   2.63564   2.64657   2.67970
 Alpha virt. eigenvalues --    2.68881   2.71444   2.72297   2.74631   2.78299
 Alpha virt. eigenvalues --    2.78999   2.82870   2.83669   2.85667   2.86876
 Alpha virt. eigenvalues --    2.90775   2.92252   2.92962   3.00034   3.00243
 Alpha virt. eigenvalues --    3.03872   3.12981   3.16924   3.21151   3.26442
 Alpha virt. eigenvalues --    3.40195   3.45328   4.08490   4.14170   4.47442
 Alpha virt. eigenvalues --    4.76732
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.629004  -0.656083  -2.070260  -0.707584  -1.125688  -0.488686
     2  C   -0.656083   6.920344   0.351126  -0.139443  -0.534747   0.553971
     3  C   -2.070260   0.351126  12.407888  -2.579831  -4.328291   0.905145
     4  C   -0.707584  -0.139443  -2.579831  11.120817  -1.509302   0.248536
     5  C   -1.125688  -0.534747  -4.328291  -1.509302  20.345389  -3.995472
     6  C   -0.488686   0.553971   0.905145   0.248536  -3.995472  14.703119
     7  C    1.515488  -1.815497  -2.215615   0.158537   4.220364  -4.845529
     8  C   -1.424386   0.529702   1.479316  -0.254584  -4.780684   2.128702
     9  H   -1.095847   0.205987   0.735085  -0.329688   0.191593  -0.029369
    10  H    0.115078  -0.280651   0.125680   0.002038   0.002641   0.196830
    11  H    0.161677  -0.306361   0.055002   0.010610  -0.126998  -0.053750
    12  H    0.044732   0.022773   0.137894  -0.440934   0.146444  -0.075993
    13  H    0.056006  -0.046054   0.340479  -0.427920  -0.064141   0.008502
    14  H    0.041414   0.135234   0.895829  -0.336903  -3.154623   0.403293
    15  C   -0.197707  -0.180151  -0.406325  -0.107338   1.490415  -2.200722
    16  C    0.217611  -0.202503   0.095315   0.141423  -0.841580  -1.384368
    17  H   -0.039442   0.461694   0.133674  -0.038951  -0.533916   0.477400
    18  H   -0.106566  -0.019341   0.266698   0.031751   0.256255  -0.153967
    19  H    0.281051   0.050629   0.141599  -0.011623  -0.950527   0.427063
    20  H    0.002443  -0.032785  -0.039673   0.113215  -0.582640   0.605477
    21  H    0.017080  -0.009831   0.206383  -0.084633  -0.111600   0.200589
    22  H   -0.042757   0.066759   0.004856  -0.026218   0.077071   0.142556
    23  H    0.047491  -0.019573  -0.080832   0.020770   0.143334   0.912918
    24  H   -0.045616   0.068566  -0.019149   0.009297   0.005236   0.036975
    25  H    0.016270  -0.039282   0.130945  -0.016349  -0.296801  -0.097825
    26  H    0.260620   0.075902  -0.378529   0.024239  -0.049455  -0.076559
               7          8          9         10         11         12
     1  C    1.515488  -1.424386  -1.095847   0.115078   0.161677   0.044732
     2  C   -1.815497   0.529702   0.205987  -0.280651  -0.306361   0.022773
     3  C   -2.215615   1.479316   0.735085   0.125680   0.055002   0.137894
     4  C    0.158537  -0.254584  -0.329688   0.002038   0.010610  -0.440934
     5  C    4.220364  -4.780684   0.191593   0.002641  -0.126998   0.146444
     6  C   -4.845529   2.128702  -0.029369   0.196830  -0.053750  -0.075993
     7  C   15.680251  -4.979993  -0.168233  -0.050118   0.150018   0.052163
     8  C   -4.979993  11.209264   0.129723  -0.019803   0.036187  -0.066117
     9  H   -0.168233   0.129723   2.643608   0.135319  -0.314483  -0.065176
    10  H   -0.050118  -0.019803   0.135319   2.306021  -0.685974  -0.001947
    11  H    0.150018   0.036187  -0.314483  -0.685974   2.290366   0.007335
    12  H    0.052163  -0.066117  -0.065176  -0.001947   0.007335   2.474695
    13  H   -0.018611   0.094664   0.036421   0.003249  -0.011503  -0.609117
    14  H   -0.390912   0.970098  -0.001839  -0.004763   0.005776   0.037160
    15  C    1.351514  -1.057200   0.063566   0.015318  -0.138298   0.050803
    16  C   -0.503322   0.541608  -0.036753  -0.011879   0.064210  -0.001792
    17  H   -2.737716   1.027506   0.003095  -0.100782  -0.009867   0.000868
    18  H    0.391082  -1.070342  -0.011390   0.024901  -0.002564  -0.000317
    19  H   -0.970817   0.510757   0.043046  -0.045689   0.009023  -0.013715
    20  H   -0.288641   0.229690  -0.014441  -0.010641   0.043170  -0.004581
    21  H    0.028184  -0.002430   0.002926  -0.003303   0.005369   0.007199
    22  H   -0.124614  -0.019875   0.009316   0.012179  -0.026993   0.000605
    23  H    0.126273  -0.369783  -0.001194  -0.002554   0.002934   0.000494
    24  H   -0.170795   0.081461  -0.002461  -0.000867   0.022332   0.000857
    25  H   -0.026686   0.114266   0.000947   0.003230  -0.012164  -0.003657
    26  H    0.062640  -0.031709  -0.664970  -0.358885   0.163886   0.016331
              13         14         15         16         17         18
     1  C    0.056006   0.041414  -0.197707   0.217611  -0.039442  -0.106566
     2  C   -0.046054   0.135234  -0.180151  -0.202503   0.461694  -0.019341
     3  C    0.340479   0.895829  -0.406325   0.095315   0.133674   0.266698
     4  C   -0.427920  -0.336903  -0.107338   0.141423  -0.038951   0.031751
     5  C   -0.064141  -3.154623   1.490415  -0.841580  -0.533916   0.256255
     6  C    0.008502   0.403293  -2.200722  -1.384368   0.477400  -0.153967
     7  C   -0.018611  -0.390912   1.351514  -0.503322  -2.737716   0.391082
     8  C    0.094664   0.970098  -1.057200   0.541608   1.027506  -1.070342
     9  H    0.036421  -0.001839   0.063566  -0.036753   0.003095  -0.011390
    10  H    0.003249  -0.004763   0.015318  -0.011879  -0.100782   0.024901
    11  H   -0.011503   0.005776  -0.138298   0.064210  -0.009867  -0.002564
    12  H   -0.609117   0.037160   0.050803  -0.001792   0.000868  -0.000317
    13  H    2.415398  -0.063716  -0.021246   0.007220  -0.001286   0.005356
    14  H   -0.063716   3.695101  -0.301233   0.049370   0.003809  -0.115806
    15  C   -0.021246  -0.301233   6.993249  -0.682770  -0.274750   0.196143
    16  C    0.007220   0.049370  -0.682770   7.094686   0.112273  -0.035075
    17  H   -0.001286   0.003809  -0.274750   0.112273   3.357414  -0.116083
    18  H    0.005356  -0.115806   0.196143  -0.035075  -0.116083   3.211058
    19  H    0.013530   0.131553  -0.189171   0.059471   0.154383  -1.123526
    20  H    0.000118  -0.008152  -0.154631   0.259471  -0.005744   0.037796
    21  H   -0.012132   0.032579   0.087943  -0.314859   0.005059  -0.002400
    22  H    0.002197  -0.001287   0.075626  -0.031780   0.003223  -0.005380
    23  H    0.000384  -0.052477  -0.090631  -0.450882  -0.064753  -0.045523
    24  H   -0.002997   0.025145   0.027372   0.169847  -0.006574   0.003247
    25  H    0.010053  -0.032426   0.105015   0.313010   0.016162   0.014188
    26  H   -0.001976   0.010056   0.018781   0.020365   0.003506   0.036448
              19         20         21         22         23         24
     1  C    0.281051   0.002443   0.017080  -0.042757   0.047491  -0.045616
     2  C    0.050629  -0.032785  -0.009831   0.066759  -0.019573   0.068566
     3  C    0.141599  -0.039673   0.206383   0.004856  -0.080832  -0.019149
     4  C   -0.011623   0.113215  -0.084633  -0.026218   0.020770   0.009297
     5  C   -0.950527  -0.582640  -0.111600   0.077071   0.143334   0.005236
     6  C    0.427063   0.605477   0.200589   0.142556   0.912918   0.036975
     7  C   -0.970817  -0.288641   0.028184  -0.124614   0.126273  -0.170795
     8  C    0.510757   0.229690  -0.002430  -0.019875  -0.369783   0.081461
     9  H    0.043046  -0.014441   0.002926   0.009316  -0.001194  -0.002461
    10  H   -0.045689  -0.010641  -0.003303   0.012179  -0.002554  -0.000867
    11  H    0.009023   0.043170   0.005369  -0.026993   0.002934   0.022332
    12  H   -0.013715  -0.004581   0.007199   0.000605   0.000494   0.000857
    13  H    0.013530   0.000118  -0.012132   0.002197   0.000384  -0.002997
    14  H    0.131553  -0.008152   0.032579  -0.001287  -0.052477   0.025145
    15  C   -0.189171  -0.154631   0.087943   0.075626  -0.090631   0.027372
    16  C    0.059471   0.259471  -0.314859  -0.031780  -0.450882   0.169847
    17  H    0.154383  -0.005744   0.005059   0.003223  -0.064753  -0.006574
    18  H   -1.123526   0.037796  -0.002400  -0.005380  -0.045523   0.003247
    19  H    3.195618  -0.015256  -0.001436   0.000980  -0.007248   0.008704
    20  H   -0.015256   2.328483  -0.618674  -0.524239  -0.057598   0.025548
    21  H   -0.001436  -0.618674   2.027665  -0.258161   0.026137   0.006779
    22  H    0.000980  -0.524239  -0.258161   1.761384   0.026937  -0.052043
    23  H   -0.007248  -0.057598   0.026137   0.026937   2.066614  -0.399328
    24  H    0.008704   0.025548   0.006779  -0.052043  -0.399328   1.860261
    25  H    0.007024   0.056620  -0.073711   0.005082  -0.430505  -0.473305
    26  H   -0.071707   0.020790   0.001784  -0.004306   0.004081  -0.001783
              25         26
     1  C    0.016270   0.260620
     2  C   -0.039282   0.075902
     3  C    0.130945  -0.378529
     4  C   -0.016349   0.024239
     5  C   -0.296801  -0.049455
     6  C   -0.097825  -0.076559
     7  C   -0.026686   0.062640
     8  C    0.114266  -0.031709
     9  H    0.000947  -0.664970
    10  H    0.003230  -0.358885
    11  H   -0.012164   0.163886
    12  H   -0.003657   0.016331
    13  H    0.010053  -0.001976
    14  H   -0.032426   0.010056
    15  C    0.105015   0.018781
    16  C    0.313010   0.020365
    17  H    0.016162   0.003506
    18  H    0.014188   0.036448
    19  H    0.007024  -0.071707
    20  H    0.056620   0.020790
    21  H   -0.073711   0.001784
    22  H    0.005082  -0.004306
    23  H   -0.430505   0.004081
    24  H   -0.473305  -0.001783
    25  H    1.893149  -0.000870
    26  H   -0.000870   2.228381
 Mulliken charges:
               1
     1  C    0.594659
     2  C    0.839614
     3  C   -0.294411
     4  C    1.130067
     5  C    2.107723
     6  C   -2.548836
     7  C    1.570582
     8  C    0.993962
     9  H   -0.464788
    10  H   -0.364627
    11  H   -0.338941
    12  H   -0.717008
    13  H   -0.712878
    14  H   -0.972278
    15  C    1.526425
    16  C    1.351683
    17  H   -0.830205
    18  H   -0.666642
    19  H   -0.633717
    20  H   -0.365127
    21  H   -0.162505
    22  H   -0.071115
    23  H   -0.305487
    24  H   -0.176708
    25  H   -0.182379
    26  H   -0.307063
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.177191
     2  C    0.136046
     3  C   -0.294411
     4  C   -0.299819
     5  C    1.135445
     6  C   -2.548836
     7  C    0.740378
     8  C   -0.306397
    15  C    0.927678
    16  C    0.687108
 Electronic spatial extent (au):  <R**2>=           1337.9973
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4264    Y=              0.5726    Z=              0.1345  Tot=              0.7265
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.2166   YY=            -63.6933   ZZ=            -64.7198
   XY=              1.0899   XZ=              1.2518   YZ=              0.5054
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0067   YY=              0.5166   ZZ=             -0.5099
   XY=              1.0899   XZ=              1.2518   YZ=              0.5054
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.2405  YYY=             -0.2253  ZZZ=              0.8963  XYY=              0.3050
  XXY=              2.9912  XXZ=              4.5664  XZZ=             -3.0221  YZZ=              2.2101
  YYZ=             -3.0437  XYZ=             -1.0253
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -935.0870 YYYY=           -548.0065 ZZZZ=           -425.0661 XXXY=             -3.9469
 XXXZ=             12.3460 YYYX=              5.5130 YYYZ=              6.6425 ZZZX=              7.8445
 ZZZY=              1.8953 XXYY=           -247.2075 XXZZ=           -225.4176 YYZZ=           -167.2227
 XXYZ=             -4.3120 YYXZ=             -4.5100 ZZXY=              2.1218
 N-N= 5.710056832907D+02 E-N=-2.045141792373D+03  KE= 3.874306866888D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:27:18 2021, MaxMem=  5637144576 cpu:               5.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1435   -0.1437       -3.8627   -3.8626
 2      0.1435    0.1437       -0.5604   -0.5585       -4.3578   -4.3560
 3      3.8627    3.8626       12.0961   12.0934        0.5600    0.5585
 4      0.5604    0.5585       -0.0000    0.0000        3.8619    3.8626
 5     -7.7383   -7.7374       -3.8619   -3.8626       -0.1425   -0.1437
 6     -0.5600   -0.5585        0.1425    0.1437       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4310    0.4310      -11.5879  -11.5879
 2      1.6756    1.6756       -0.0000    0.0000      -11.5879  -11.5879
 3      1.6756    1.6756        0.4310    0.4310       -0.0000    0.0000
 4      0.4310    0.4310       -1.6756   -1.6756      -13.0679  -13.0679
 5     11.5879   11.5879       36.2801   36.2801        1.6756    1.6756
 6    -23.2122  -23.2122      -11.5879  -11.5879       -0.4310   -0.4310
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0199    0.0000        0.5679    0.5747       15.4446   15.4505
 2     -0.5691   -0.5747        2.2291    2.2341       17.3802   17.4239
 3    -15.4616  -15.4505      -48.3001  -48.3734       -2.2911   -2.2341
 4     -2.2129   -2.2341       -0.0095    0.0000      -15.4552  -15.4505
 5     30.9285   30.9496       15.4451   15.4505        0.5681    0.5747
 6      2.2505    2.2341       -0.5627   -0.5747        0.0094    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0419    0.0000       13.8419   13.8122       -3.7315   -3.7444
 2    -13.7926  -13.8122      -17.2508  -17.2901        2.4099    2.4650
 3      3.7006    3.7444      -20.6829  -20.7469       17.3536   17.2901
 4     17.2268   17.2901       -0.0236    0.0000        3.8058    3.7444
 5     18.2925   18.2818       -3.6231   -3.7444       13.7652   13.8122
 6    -17.2951  -17.2901      -13.8328  -13.8122       -0.0335    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     52.2536   52.2286       74.3144   74.3736        8.9012    8.9433
 2     80.8004   80.7906       70.9166   70.9318        8.9660    8.9433
 3     80.7220   80.7906       74.3568   74.3736       11.2479   11.2398
 4      3.4994    3.4418      -28.5393  -28.5620        5.1723    5.1498
 5      2.2957    2.2965      -31.8214  -31.9777       28.5611   28.5620
 6     26.7168   26.8279       -2.1477   -2.2965       -3.4402   -3.4418
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.4719                 1.1747                 0.6320
  Dep-P Fr= 1--      0.7278                 0.6458                 0.7262
  Dep-U Fr= 1--      0.8425                 0.7848                 0.8414
 Alpha2 Fr= 1--      0.0013                 0.0022                 0.0003
 Beta2  Fr= 1--      0.4875                 0.1536                 0.0886
 AlphaG Fr= 1--      0.0002                -0.0064                 0.0009
 Gamma2 Fr= 1--      0.8937                -0.3158                -0.1462
 Delta2 Fr= 1--     -0.2632                -0.0776                 0.0142
 Raman1 Fr= 1--      13.888                  4.699                  2.528
 ROA1   Fr= 1--      77.369                -32.794                -13.576
 CID1   Fr= 1--       5.571                 -6.980                 -5.371
 Raman2 Fr= 1--       5.850                  1.844                  1.063
 ROA2   Fr= 1--      23.553                 -6.958                 -3.622
 CID2   Fr= 1--       4.026                 -3.774                 -3.405
 Raman3 Fr= 1--      11.700                  3.687                  2.127
 ROA3   Fr= 1--      77.369                -32.794                -13.576
 CID3   Fr= 1--       6.613                 -8.894                 -6.383
 RC180  Fr= 1--       0.685                  0.570                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.3075                 0.2858                 0.3716
  Dep-P Fr= 1--      0.5977                 0.5677                 0.5397
  Dep-U Fr= 1--      0.7482                 0.7243                 0.7011
 Alpha2 Fr= 1--      0.0009                 0.0010                 0.0015
 Beta2  Fr= 1--      0.0384                 0.0345                 0.0434
 AlphaG Fr= 1--      0.0007                 0.0099                -0.0083
 Gamma2 Fr= 1--     -0.2808                 0.1258                 0.0482
 Delta2 Fr= 1--     -0.2437                -0.0983                 0.1912
 Raman1 Fr= 1--       1.230                  1.143                  1.486
 ROA1   Fr= 1--     -34.750                  8.926                 10.748
 CID1   Fr= 1--     -28.248                  7.808                  7.231
 Raman2 Fr= 1--       0.460                  0.414                  0.521
 ROA2   Fr= 1--      -4.789                  3.805                 -0.372
 CID2   Fr= 1--     -10.406                  9.191                 -0.714
 Raman3 Fr= 1--       0.920                  0.828                  1.042
 ROA3   Fr= 1--     -34.750                  8.926                 10.748
 CID3   Fr= 1--     -37.755                 10.780                 10.314
 RC180  Fr= 1--       0.496                  0.449                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.5256                 1.5415                 0.8232
  Dep-P Fr= 1--      0.4805                 0.5304                 0.6795
  Dep-U Fr= 1--      0.6491                 0.6932                 0.8091
 Alpha2 Fr= 1--      0.0136                 0.0066                 0.0010
 Beta2  Fr= 1--      0.2732                 0.1781                 0.1110
 AlphaG Fr= 1--      0.0159                 0.0043                 0.0047
 Gamma2 Fr= 1--      1.1701                -0.3379                -0.5072
 Delta2 Fr= 1--      0.4342                -0.0633                -0.2826
 Raman1 Fr= 1--      10.102                  6.166                  3.293
 ROA1   Fr= 1--     126.227                -34.463                -57.731
 CID1   Fr= 1--      12.495                 -5.589                -17.532
 Raman2 Fr= 1--       3.279                  2.137                  1.332
 ROA2   Fr= 1--      24.610                 -7.603                 -9.912
 CID2   Fr= 1--       7.506                 -3.558                 -7.440
 Raman3 Fr= 1--       6.557                  4.274                  2.664
 ROA3   Fr= 1--     126.227                -34.463                -57.731
 CID3   Fr= 1--      19.249                 -8.063                -21.667
 RC180  Fr= 1--       0.298                  0.386                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      1.0148                 1.2956                 6.5983
  Dep-P Fr= 1--      0.4457                 0.4734                 0.3584
  Dep-U Fr= 1--      0.6166                 0.6426                 0.5277
 Alpha2 Fr= 1--      0.0063                 0.0072                 0.0564
 Beta2  Fr= 1--      0.1043                 0.1388                 0.5803
 AlphaG Fr= 1--     -0.0196                -0.0075                -0.0392
 Gamma2 Fr= 1--     -0.2421                -0.6058                 0.6605
 Delta2 Fr= 1--      0.0514                -0.2519                 0.4653
 Raman1 Fr= 1--       4.059                  5.182                 26.393
 ROA1   Fr= 1--     -21.600                -66.219                 78.302
 CID1   Fr= 1--      -5.321                -12.778                  2.967
 Raman2 Fr= 1--       1.251                  1.665                  6.963
 ROA2   Fr= 1--      -6.222                -12.524                 12.131
 CID2   Fr= 1--      -4.972                 -7.521                  1.742
 Raman3 Fr= 1--       2.503                  3.330                 13.927
 ROA3   Fr= 1--     -21.600                -66.219                 78.302
 CID3   Fr= 1--      -8.630                -19.884                  5.622
 RC180  Fr= 1--       0.233                  0.285                  0.055
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.3032                 1.5700                22.7888
  Dep-P Fr= 1--      0.4146                 0.7094                 0.0066
  Dep-U Fr= 1--      0.5862                 0.8300                 0.0132
 Alpha2 Fr= 1--      0.0092                 0.0011                 0.4986
 Beta2  Fr= 1--      0.1273                 0.2172                 0.0501
 AlphaG Fr= 1--     -0.0292                -0.0152                 0.3253
 Gamma2 Fr= 1--      0.5955                -1.3393                -0.2900
 Delta2 Fr= 1--      0.4112                -0.6946                -0.1385
 Raman1 Fr= 1--       5.213                  6.280                 91.155
 ROA1   Fr= 1--      70.322               -150.803                -32.267
 CID1   Fr= 1--      13.490                -24.013                 -0.354
 Raman2 Fr= 1--       1.528                  2.606                  0.601
 ROA2   Fr= 1--      11.001                -26.586                 -5.851
 CID2   Fr= 1--       7.201                -10.201                 -9.740
 Raman3 Fr= 1--       3.056                  5.213                  1.201
 ROA3   Fr= 1--      70.322               -150.803                -32.267
 CID3   Fr= 1--      23.015                -28.931                -26.856
 RC180  Fr= 1--       0.172                  0.660                 -0.974
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      3.7244                 5.5283                 1.4540
  Dep-P Fr= 1--      0.2215                 0.0918                 0.7063
  Dep-U Fr= 1--      0.3627                 0.1681                 0.8279
 Alpha2 Fr= 1--      0.0477                 0.0988                 0.0011
 Beta2  Fr= 1--      0.2251                 0.1549                 0.2006
 AlphaG Fr= 1--     -0.4764                 0.4787                -0.0598
 Gamma2 Fr= 1--     -0.4181                 0.3915                -0.2552
 Delta2 Fr= 1--      0.4366                 0.7177                 1.4205
 Raman1 Fr= 1--      14.898                 22.113                  5.816
 ROA1   Fr= 1--     -26.170                 60.552                 20.957
 CID1   Fr= 1--      -1.757                  2.738                  3.603
 Raman2 Fr= 1--       2.702                  1.859                  2.407
 ROA2   Fr= 1--     -13.529                  3.655                -17.488
 CID2   Fr= 1--      -5.007                  1.966                 -7.265
 Raman3 Fr= 1--       5.403                  3.718                  4.815
 ROA3   Fr= 1--     -26.170                 60.552                 20.957
 CID3   Fr= 1--      -4.843                 16.285                  4.353
 RC180  Fr= 1--      -0.275                 -0.664                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      2.6042                10.5132                 3.2609
  Dep-P Fr= 1--      0.3204                 0.4874                 0.2736
  Dep-U Fr= 1--      0.4853                 0.6554                 0.4297
 Alpha2 Fr= 1--      0.0251                 0.0550                 0.0361
 Beta2  Fr= 1--      0.2106                 1.1483                 0.2335
 AlphaG Fr= 1--     -0.0088                -0.3785                 0.0122
 Gamma2 Fr= 1--     -0.2138                -2.4033                 1.4311
 Delta2 Fr= 1--     -0.2056                -1.0476                 0.3277
 Raman1 Fr= 1--      10.417                 42.053                 13.044
 ROA1   Fr= 1--     -27.099               -264.236                147.872
 CID1   Fr= 1--      -2.601                 -6.283                 11.337
 Raman2 Fr= 1--       2.528                 13.780                  2.802
 ROA2   Fr= 1--      -3.486                -49.297                 31.724
 CID2   Fr= 1--      -1.379                 -3.577                 11.321
 Raman3 Fr= 1--       5.055                 27.560                  5.604
 ROA3   Fr= 1--     -27.099               -264.236                147.872
 CID3   Fr= 1--      -5.361                 -9.588                 26.385
 RC180  Fr= 1--      -0.029                  0.311                 -0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--      8.8981                 1.5182                 5.4050
  Dep-P Fr= 1--      0.6964                 0.5334                 0.5040
  Dep-U Fr= 1--      0.8211                 0.6957                 0.6702
 Alpha2 Fr= 1--      0.0083                 0.0064                 0.0262
 Beta2  Fr= 1--      1.2176                 0.1760                 0.6038
 AlphaG Fr= 1--     -0.0696                -0.0867                 0.0716
 Gamma2 Fr= 1--     -0.1043                 0.3799                 3.7957
 Delta2 Fr= 1--      0.1403                -0.3254                 1.7637
 Raman1 Fr= 1--      35.592                  6.073                 21.620
 ROA1   Fr= 1--      -5.519                 26.055                420.828
 CID1   Fr= 1--      -0.155                  4.290                 19.465
 Raman2 Fr= 1--      14.612                  2.112                  7.245
 ROA2   Fr= 1--      -3.624                 11.720                 76.988
 CID2   Fr= 1--      -0.248                  5.548                 10.626
 Raman3 Fr= 1--      29.224                  4.225                 14.490
 ROA3   Fr= 1--      -5.519                 26.055                420.828
 CID3   Fr= 1--      -0.189                  6.167                 29.042
 RC180  Fr= 1--       0.642                  0.391                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.1049                 2.9604                 0.8446
  Dep-P Fr= 1--      0.6193                 0.7280                 0.5019
  Dep-U Fr= 1--      0.7649                 0.8426                 0.6683
 Alpha2 Fr= 1--      0.0074                 0.0011                 0.0041
 Beta2  Fr= 1--      0.3958                 0.4157                 0.0941
 AlphaG Fr= 1--      0.0298                 0.0092                 0.0374
 Gamma2 Fr= 1--      0.4759                -2.1187                 0.1092
 Delta2 Fr= 1--     -0.1860                -1.7086                -0.0467
 Raman1 Fr= 1--      12.420                 11.842                  3.379
 ROA1   Fr= 1--      39.732               -258.073                  8.987
 CID1   Fr= 1--       3.199                -21.794                  2.660
 Raman2 Fr= 1--       4.750                  4.989                  1.129
 ROA2   Fr= 1--      12.910                -37.181                  2.995
 CID2   Fr= 1--       2.718                 -7.453                  2.653
 Raman3 Fr= 1--       9.500                  9.977                  2.258
 ROA3   Fr= 1--      39.732               -258.073                  8.987
 CID3   Fr= 1--       4.182                -25.866                  3.980
 RC180  Fr= 1--       0.530                  0.685                  0.337
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.2712                 4.7824                 4.9860
  Dep-P Fr= 1--      0.1419                 0.0952                 0.4455
  Dep-U Fr= 1--      0.2485                 0.1739                 0.6164
 Alpha2 Fr= 1--      0.0201                 0.0847                 0.0311
 Beta2  Fr= 1--      0.0527                 0.1386                 0.5122
 AlphaG Fr= 1--      0.0095                 0.0732                -0.0930
 Gamma2 Fr= 1--      0.6977                -0.3557                -0.4518
 Delta2 Fr= 1--      0.4633                -0.4618                -0.7512
 Raman1 Fr= 1--       5.085                 19.130                 19.944
 ROA1   Fr= 1--      81.808                -48.923                -67.410
 CID1   Fr= 1--      16.088                 -2.557                 -3.380
 Raman2 Fr= 1--       0.632                  1.663                  6.146
 ROA2   Fr= 1--      13.040                 -4.841                 -4.833
 CID2   Fr= 1--      20.636                 -2.910                 -0.786
 Raman3 Fr= 1--       1.264                  3.327                 12.293
 ROA3   Fr= 1--      81.808                -48.923                -67.410
 CID3   Fr= 1--      64.731                -14.706                 -5.484
 RC180  Fr= 1--      -0.503                 -0.652                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.4328                 2.5820                 3.1497
  Dep-P Fr= 1--      0.7038                 0.3424                 0.5968
  Dep-U Fr= 1--      0.8261                 0.5102                 0.7475
 Alpha2 Fr= 1--      0.0020                 0.0232                 0.0090
 Beta2  Fr= 1--      0.3350                 0.2195                 0.3924
 AlphaG Fr= 1--      0.0203                 0.0310                -0.1632
 Gamma2 Fr= 1--     -1.8950                 0.5448                -2.8569
 Delta2 Fr= 1--     -0.7784                 0.3061                -0.7151
 Raman1 Fr= 1--       9.731                 10.328                 12.599
 ROA1   Fr= 1--    -206.828                 62.098               -297.141
 CID1   Fr= 1--     -21.254                  6.012                -23.585
 Raman2 Fr= 1--       4.020                  2.634                  4.709
 ROA2   Fr= 1--     -39.252                 10.626                -62.844
 CID2   Fr= 1--      -9.765                  4.033                -13.345
 Raman3 Fr= 1--       8.039                  5.269                  9.418
 ROA3   Fr= 1--    -206.828                 62.098               -297.141
 CID3   Fr= 1--     -25.727                 11.786                -31.550
 RC180  Fr= 1--       0.652                  0.020                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--      8.4971                11.3154                 2.7830
  Dep-P Fr= 1--      0.7472                 0.5507                 0.6606
  Dep-U Fr= 1--      0.8553                 0.7103                 0.7956
 Alpha2 Fr= 1--      0.0004                 0.0431                 0.0044
 Beta2  Fr= 1--      1.2113                 1.3395                 0.3690
 AlphaG Fr= 1--     -0.0043                -0.0780                -0.0153
 Gamma2 Fr= 1--      1.5012                -1.7864                -0.4486
 Delta2 Fr= 1--     -0.6030                 0.2688                 0.4998
 Raman1 Fr= 1--      33.988                 45.261                 11.132
 ROA1   Fr= 1--     124.821               -162.891                -27.068
 CID1   Fr= 1--       3.672                 -3.599                 -2.432
 Raman2 Fr= 1--      14.535                 16.074                  4.428
 ROA2   Fr= 1--      40.853                -45.023                -14.764
 CID2   Fr= 1--       2.811                 -2.801                 -3.334
 Raman3 Fr= 1--      29.070                 32.149                  8.856
 ROA3   Fr= 1--     124.821               -162.891                -27.068
 CID3   Fr= 1--       4.294                 -5.067                 -3.056
 RC180  Fr= 1--       0.711                  0.421                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--      9.1865                 4.7450                 4.4592
  Dep-P Fr= 1--      0.6281                 0.1475                 0.5253
  Dep-U Fr= 1--      0.7716                 0.2571                 0.6888
 Alpha2 Fr= 1--      0.0204                 0.0738                 0.0195
 Beta2  Fr= 1--      1.1814                 0.2033                 0.5119
 AlphaG Fr= 1--     -0.0504                -0.0287                -0.0615
 Gamma2 Fr= 1--     -1.3243                -1.7510                 1.1778
 Delta2 Fr= 1--     -0.4516                -0.7010                 0.7342
 Raman1 Fr= 1--      36.746                 18.980                 17.837
 ROA1   Fr= 1--    -141.582               -190.527                136.561
 CID1   Fr= 1--      -3.853                -10.038                  7.656
 Raman2 Fr= 1--      14.176                  2.440                  6.143
 ROA2   Fr= 1--     -28.170                -36.417                 22.394
 CID2   Fr= 1--      -1.987                -14.925                  3.646
 Raman3 Fr= 1--      28.353                  4.880                 12.285
 ROA3   Fr= 1--    -141.582               -190.527                136.561
 CID3   Fr= 1--      -4.994                -39.044                 11.116
 RC180  Fr= 1--       0.543                 -0.486                  0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      4.7938                 3.3917                 5.0515
  Dep-P Fr= 1--      0.5171                 0.5181                 0.3060
  Dep-U Fr= 1--      0.6817                 0.6825                 0.4686
 Alpha2 Fr= 1--      0.0218                 0.0154                 0.0509
 Beta2  Fr= 1--      0.5447                 0.3858                 0.3945
 AlphaG Fr= 1--     -0.0264                 0.0420                -0.0381
 Gamma2 Fr= 1--      4.1744                 1.0378                -2.6971
 Delta2 Fr= 1--      3.3158                 0.4436                -0.9671
 Raman1 Fr= 1--      19.175                 13.567                 20.206
 ROA1   Fr= 1--     506.847                113.830               -289.867
 CID1   Fr= 1--      26.433                  8.390                -14.346
 Raman2 Fr= 1--       6.536                  4.630                  4.734
 ROA2   Fr= 1--      73.659                 21.359                -56.994
 CID2   Fr= 1--      11.270                  4.613                -12.038
 Raman3 Fr= 1--      13.072                  9.260                  9.469
 ROA3   Fr= 1--     506.847                113.830               -289.867
 CID3   Fr= 1--      38.774                 12.293                -30.613
 RC180  Fr= 1--       0.363                  0.365                 -0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.0851                 3.7936                 2.0657
  Dep-P Fr= 1--      0.6739                 0.5385                 0.7389
  Dep-U Fr= 1--      0.8052                 0.7000                 0.8499
 Alpha2 Fr= 1--      0.0015                 0.0155                 0.0004
 Beta2  Fr= 1--      0.1456                 0.4426                 0.2926
 AlphaG Fr= 1--     -0.0017                -0.0219                -0.0007
 Gamma2 Fr= 1--      1.5466                -0.7608                -0.0683
 Delta2 Fr= 1--      1.1242                -0.8832                -0.3283
 Raman1 Fr= 1--       4.340                 15.174                  8.263
 ROA1   Fr= 1--     184.448               -101.300                -17.059
 CID1   Fr= 1--      42.496                 -6.676                 -2.065
 Raman2 Fr= 1--       1.747                  5.311                  3.511
 ROA2   Fr= 1--      28.124                -11.194                  0.988
 CID2   Fr= 1--      16.095                 -2.108                  0.281
 Raman3 Fr= 1--       3.495                 10.622                  7.022
 ROA3   Fr= 1--     184.448               -101.300                -17.059
 CID3   Fr= 1--      52.779                 -9.537                 -2.429
 RC180  Fr= 1--       0.610                  0.400                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.1778                 0.5936                34.7661
  Dep-P Fr= 1--      0.3522                 0.0362                 0.3264
  Dep-U Fr= 1--      0.5210                 0.0699                 0.4922
 Alpha2 Fr= 1--      0.0016                 0.0121                 0.3289
 Beta2  Fr= 1--      0.0154                 0.0069                 2.8520
 AlphaG Fr= 1--     -0.0024                 0.0114                -0.1186
 Gamma2 Fr= 1--      0.1234                -0.0808                -0.5276
 Delta2 Fr= 1--      0.0280                 0.0019                 0.1988
 Raman1 Fr= 1--       0.711                  2.374                139.065
 ROA1   Fr= 1--      12.742                 -7.693                -44.289
 CID1   Fr= 1--      17.911                 -3.240                 -0.318
 Raman2 Fr= 1--       0.185                  0.083                 34.224
 ROA2   Fr= 1--       2.738                 -1.954                -14.253
 CID2   Fr= 1--      14.775                -23.526                 -0.416
 Raman3 Fr= 1--       0.371                  0.166                 68.449
 ROA3   Fr= 1--      12.742                 -7.693                -44.289
 CID3   Fr= 1--      34.381                -46.322                 -0.647
 RC180  Fr= 1--       0.042                 -0.860                 -0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      6.1828                 6.0068                 1.4977
  Dep-P Fr= 1--      0.5615                 0.7438                 0.7490
  Dep-U Fr= 1--      0.7192                 0.8531                 0.8565
 Alpha2 Fr= 1--      0.0221                 0.0006                 0.0000
 Beta2  Fr= 1--      0.7411                 0.8540                 0.2138
 AlphaG Fr= 1--      0.0012                 0.0056                 0.0006
 Gamma2 Fr= 1--     -0.8880                -0.1128                -0.1710
 Delta2 Fr= 1--      1.8049                -2.4799                 0.0475
 Raman1 Fr= 1--      24.731                 24.027                  5.991
 ROA1   Fr= 1--     -27.491                -90.183                -14.892
 CID1   Fr= 1--      -1.112                 -3.753                 -2.486
 Raman2 Fr= 1--       8.893                 10.248                  2.565
 ROA2   Fr= 1--     -35.752                 17.133                 -4.483
 CID2   Fr= 1--      -4.020                  1.672                 -1.747
 Raman3 Fr= 1--      17.786                 20.497                  5.131
 ROA3   Fr= 1--     -27.491                -90.183                -14.892
 CID3   Fr= 1--      -1.546                 -4.400                 -2.902
 RC180  Fr= 1--       0.438                  0.706                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      6.5127                 2.5880                 2.6770
  Dep-P Fr= 1--      0.7463                 0.6925                 0.6974
  Dep-U Fr= 1--      0.8547                 0.8183                 0.8217
 Alpha2 Fr= 1--      0.0004                 0.0026                 0.0025
 Beta2  Fr= 1--      0.9278                 0.3530                 0.3666
 AlphaG Fr= 1--     -0.0045                 0.0026                -0.0175
 Gamma2 Fr= 1--     -1.7873                 2.6636                 1.6945
 Delta2 Fr= 1--      0.1731                 0.4956                 0.5086
 Raman1 Fr= 1--      26.051                 10.352                 10.708
 ROA1   Fr= 1--    -166.045                271.568                178.946
 CID1   Fr= 1--      -6.374                 26.233                 16.711
 Raman2 Fr= 1--      11.133                  4.236                  4.399
 ROA2   Fr= 1--     -44.281                 59.962                 36.599
 CID2   Fr= 1--      -3.977                 14.156                  8.319
 Raman3 Fr= 1--      22.266                  8.471                  8.799
 ROA3   Fr= 1--    -166.045                271.568                178.946
 CID3   Fr= 1--      -7.457                 32.058                 20.337
 RC180  Fr= 1--       0.709                  0.637                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      4.5502               115.0079                12.7791
  Dep-P Fr= 1--      0.4693                 0.1836                 0.4806
  Dep-U Fr= 1--      0.6388                 0.3103                 0.6492
 Alpha2 Fr= 1--      0.0258                 1.6306                 0.0689
 Beta2  Fr= 1--      0.4844                 5.9473                 1.3826
 AlphaG Fr= 1--      0.0255                -0.0100                -0.0273
 Gamma2 Fr= 1--     -1.8303                -3.3192                 0.5112
 Delta2 Fr= 1--     -0.7979                 2.6502                 0.1826
 Raman1 Fr= 1--      18.201                460.032                 51.116
 ROA1   Fr= 1--    -201.239               -233.836                 54.923
 CID1   Fr= 1--     -11.057                 -0.508                  1.074
 Raman2 Fr= 1--       5.813                 71.367                 16.592
 ROA2   Fr= 1--     -37.544               -100.863                 10.808
 CID2   Fr= 1--      -6.458                 -1.413                  0.651
 Raman3 Fr= 1--      11.626                142.734                 33.183
 ROA3   Fr= 1--    -201.239               -233.836                 54.923
 CID3   Fr= 1--     -17.309                 -1.638                  1.655
 RC180  Fr= 1--       0.278                 -0.379                  0.298
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     32.8215               276.7831               131.4579
  Dep-P Fr= 1--      0.1652                 0.0331                 0.2518
  Dep-U Fr= 1--      0.2835                 0.0641                 0.4023
 Alpha2 Fr= 1--      0.4881                 5.6910                 1.5502
 Beta2  Fr= 1--      1.5509                 2.9557                 8.8142
 AlphaG Fr= 1--     -0.8020                -0.1942                -0.1674
 Gamma2 Fr= 1--      3.9926                -2.5425                 6.8104
 Delta2 Fr= 1--     11.6998                 2.3027                -6.5428
 Raman1 Fr= 1--     131.286               1107.132                525.832
 ROA1   Fr= 1--     757.681               -170.390                444.433
 CID1   Fr= 1--       5.771                 -0.154                  0.845
 Raman2 Fr= 1--      18.611                 35.468                105.771
 ROA2   Fr= 1--       2.224                -79.441                215.792
 CID2   Fr= 1--       0.120                 -2.240                  2.040
 Raman3 Fr= 1--      37.221                 70.936                211.542
 ROA3   Fr= 1--     757.681               -170.390                444.433
 CID3   Fr= 1--      20.356                 -2.402                  2.101
 RC180  Fr= 1--      -0.433                 -0.872                 -0.195
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    201.2831                70.8670                55.3160
  Dep-P Fr= 1--      0.1583                 0.4210                 0.7189
  Dep-U Fr= 1--      0.2734                 0.5925                 0.8364
 Alpha2 Fr= 1--      3.0464                 0.4862                 0.0297
 Beta2  Fr= 1--      9.1708                 6.9982                 7.7115
 AlphaG Fr= 1--      0.3482                 0.1425                 0.0306
 Gamma2 Fr= 1--      5.2366                 9.5915               -22.8803
 Delta2 Fr= 1--      3.2462                17.8498               -11.8082
 Raman1 Fr= 1--     805.132                283.468                221.264
 ROA1   Fr= 1--     606.592               1491.978              -2574.369
 CID1   Fr= 1--       0.753                  5.263                -11.635
 Raman2 Fr= 1--     110.050                 83.978                 92.538
 ROA2   Fr= 1--      99.708                 87.398               -454.660
 CID2   Fr= 1--       0.906                  1.041                 -4.913
 Raman3 Fr= 1--     220.099                167.956                185.075
 ROA3   Fr= 1--     606.592               1491.978              -2574.369
 CID3   Fr= 1--       2.756                  8.883                -13.910
 RC180  Fr= 1--      -0.453                  0.185                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     34.7189               270.4663               130.1483
  Dep-P Fr= 1--      0.1410                 0.0178                 0.7311
  Dep-U Fr= 1--      0.2472                 0.0350                 0.8447
 Alpha2 Fr= 1--      0.5491                 5.7647                 0.0420
 Beta2  Fr= 1--      1.4302                 1.5789                18.3223
 AlphaG Fr= 1--      0.4229                 0.5824                 0.2640
 Gamma2 Fr= 1--      6.5172                 1.8426                 1.9239
 Delta2 Fr= 1--      1.8730                 3.5795                -0.9150
 Raman1 Fr= 1--     138.876               1081.865                520.593
 ROA1   Fr= 1--     685.592                291.431                155.416
 CID1   Fr= 1--       4.937                  0.269                  0.299
 Raman2 Fr= 1--      17.163                 18.947                219.868
 ROA2   Fr= 1--     141.430                 15.586                 53.494
 CID2   Fr= 1--       8.241                  0.823                  0.243
 Raman3 Fr= 1--      34.325                 37.895                439.735
 ROA3   Fr= 1--     685.592                291.431                155.416
 CID3   Fr= 1--      19.973                  7.691                  0.353
 RC180  Fr= 1--      -0.506                 -0.930                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--     91.3648                26.3427                44.1177
  Dep-P Fr= 1--      0.7203                 0.6771                 0.4917
  Dep-U Fr= 1--      0.8374                 0.8075                 0.6593
 Alpha2 Fr= 1--      0.0467                 0.0339                 0.2263
 Beta2  Fr= 1--     12.7518                 3.5451                 4.8474
 AlphaG Fr= 1--      0.3101                 0.0245                 0.0367
 Gamma2 Fr= 1--    -14.5607                 5.6673                -6.1491
 Delta2 Fr= 1--    -23.3063                 6.1388                -0.6921
 Raman1 Fr= 1--     365.459                105.371                176.471
 ROA1   Fr= 1--   -2143.630                740.501               -612.463
 CID1   Fr= 1--      -5.866                  7.028                 -3.471
 Raman2 Fr= 1--     153.021                 42.542                 58.169
 ROA2   Fr= 1--    -163.008                 86.905               -142.042
 CID2   Fr= 1--      -1.065                  2.043                 -2.442
 Raman3 Fr= 1--     306.043                 85.083                116.338
 ROA3   Fr= 1--   -2143.630                740.501               -612.463
 CID3   Fr= 1--      -7.004                  8.703                 -5.264
 RC180  Fr= 1--       0.675                  0.615                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    136.5882               135.1394                87.6487
  Dep-P Fr= 1--      0.0887                 0.3750                 0.7494
  Dep-U Fr= 1--      0.1630                 0.5455                 0.8567
 Alpha2 Fr= 1--      2.4580                 1.0920                 0.0010
 Beta2  Fr= 1--      3.7109                12.2856                12.5151
 AlphaG Fr= 1--      0.0220                 0.1210                 0.0228
 Gamma2 Fr= 1--      6.6342                -8.9684                 2.3249
 Delta2 Fr= 1--      2.1594                -6.6342                 4.5965
 Raman1 Fr= 1--     546.353                540.558                350.595
 ROA1   Fr= 1--     705.987              -1073.256                370.278
 CID1   Fr= 1--       1.292                 -1.985                  1.056
 Raman2 Fr= 1--      44.531                147.427                150.182
 ROA2   Fr= 1--     141.947               -162.167                 19.026
 CID2   Fr= 1--       3.188                 -1.100                  0.127
 Raman3 Fr= 1--      89.063                294.854                300.363
 ROA3   Fr= 1--     705.987              -1073.256                370.278
 CID3   Fr= 1--       7.927                 -3.640                  1.233
 RC180  Fr= 1--      -0.674                  0.091                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.131523D+03 -0.772526D+01  0.287328D+00
      2  -0.772526D+01  0.122811D+03  0.111706D+01
      3   0.287328D+00  0.111706D+01  0.107336D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.384828D+01 -0.338085D+01  0.316102D+01
      2   0.712521D+01  0.261576D+01 -0.760557D+01
      3   0.106512D+02 -0.968456D+01 -0.652517D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.122561D+02 -0.312460D+02  0.322227D+01
      2   0.199863D+02 -0.843987D+01 -0.801752D+01
      3  -0.322423D+02  0.396858D+02  0.479526D+01
      4  -0.759020D+02  0.589974D+02  0.137912D+02
      5   0.574815D+01  0.199791D+02 -0.217931D+02
      6   0.101782D+02 -0.319515D+01 -0.152843D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.202575D+01 -0.182059D+01 -0.158098D+01 -0.842515D+00  0.118741D+01
      2  -0.182059D+01 -0.185069D+01  0.923848D+00  0.118741D+01 -0.399340D+01
      3  -0.158098D+01  0.923848D+00 -0.274851D+01  0.180607D+01  0.108175D+01
                 6             7             8             9            10 
      1   0.180607D+01 -0.321126D+01  0.188998D+01 -0.349694D+01 -0.421220D-01
      2   0.108175D+01  0.188998D+01  0.246587D+01 -0.985878D+00  0.204140D+01
      3  -0.913795D-01 -0.349694D+01 -0.985878D+00 -0.662304D+00  0.144711D+01
                11            12            13            14            15 
      1   0.204140D+01  0.144711D+01  0.172980D+01 -0.307824D+01 -0.120649D+00
      2  -0.319526D+01 -0.227748D-01 -0.307824D+01 -0.651566D+01  0.597793D+00
      3  -0.227748D-01  0.181552D+01 -0.120649D+00  0.597793D+00  0.829589D+00
                16            17            18            19            20 
      1   0.197832D+01  0.111576D+00  0.180924D+01 -0.132050D+02  0.951879D+01
      2   0.111576D+00  0.125718D+01 -0.279216D+00  0.951879D+01 -0.780961D+01
      3   0.180924D+01 -0.279216D+00 -0.559999D+01  0.324215D+01 -0.380897D+00
                21            22            23            24            25 
      1   0.324215D+01  0.914296D+01 -0.809063D+01 -0.181049D+01  0.886379D-01
      2  -0.380897D+00 -0.809063D+01  0.109116D+02 -0.194537D+01  0.415010D+00
      3  -0.185013D+01 -0.181049D+01 -0.194537D+01  0.261404D+01 -0.894943D+00
                26            27            28            29            30 
      1   0.415010D+00 -0.894943D+00  0.692356D+01 -0.668772D+01 -0.570956D+01
      2  -0.155988D+01  0.901546D+00 -0.668772D+01  0.757932D+01  0.240399D+01
      3   0.901546D+00  0.126386D+00 -0.570956D+01  0.240399D+01  0.260713D+01
                31            32            33            34            35 
      1  -0.950998D+01  0.854054D+01  0.817457D+00 -0.645841D+01  0.129659D+01
      2   0.854054D+01 -0.876866D+01  0.384384D+01  0.129659D+01  0.488066D+01
      3   0.817457D+00  0.384384D+01 -0.245812D+01  0.351093D+01 -0.315483D+01
                36            37            38            39            40 
      1   0.351093D+01  0.117549D+02 -0.566129D+01 -0.357460D+01 -0.199694D+01
      2  -0.315483D+01 -0.566129D+01  0.354727D+01 -0.619251D+00  0.258225D+01
      3  -0.955870D+00 -0.357460D+01 -0.619251D+00  0.242140D+01 -0.868455D+00
                41            42            43            44            45 
      1   0.258225D+01 -0.868455D+00 -0.655595D+01  0.420518D+00  0.283290D+01
      2   0.137965D+01  0.528258D+01  0.420518D+00  0.485602D+01  0.127614D+01
      3   0.528258D+01  0.960705D+00  0.283290D+01  0.127614D+01 -0.113786D+01
                46            47            48            49            50 
      1  -0.483772D+01  0.304786D+01  0.560102D+01  0.403563D+01 -0.473284D+01
      2   0.304786D+01 -0.273416D+01  0.289726D-01 -0.473284D+01 -0.685095D+01
      3   0.560102D+01  0.289726D-01 -0.217867D+01 -0.228675D+00 -0.447706D+00
                51            52            53            54            55 
      1  -0.228675D+00  0.108490D+02 -0.196826D+01 -0.266429D+01  0.204901D+01
      2  -0.447706D+00 -0.196826D+01  0.110435D+01  0.214336D+01 -0.313440D+01
      3   0.158900D+01 -0.266429D+01  0.214336D+01 -0.637944D+00 -0.232138D+01
                56            57            58            59            60 
      1  -0.313440D+01 -0.232138D+01 -0.320270D+01  0.581540D+01  0.208235D+00
      2   0.541587D+01 -0.195306D-01  0.581540D+01  0.338895D+01 -0.225852D+01
      3  -0.195306D-01 -0.110139D+01  0.208235D+00 -0.225852D+01  0.161916D+01
                61            62            63            64            65 
      1  -0.229363D+01 -0.574763D+00 -0.130868D+01  0.160522D+00 -0.878158D+00
      2  -0.574763D+00 -0.290128D+01  0.372855D+00 -0.878158D+00 -0.365697D+01
      3  -0.130868D+01  0.372855D+00  0.440468D+01  0.397158D+01  0.244627D+01
                66            67            68            69            70 
      1   0.397158D+01  0.731294D+00 -0.395350D+01  0.297526D+01  0.363442D+01
      2   0.244627D+01 -0.395350D+01  0.354483D+01 -0.108851D+01  0.162445D+01
      3   0.170090D+01  0.297526D+01 -0.108851D+01 -0.262536D+01  0.135508D+01
                71            72            73            74            75 
      1   0.162445D+01  0.135508D+01  0.446567D+01  0.580957D+00  0.249795D+01
      2  -0.151911D+00 -0.215559D+01  0.580957D+00  0.136883D+01  0.447087D+00
      3  -0.215559D+01 -0.976408D+00  0.249795D+01  0.447087D+00  0.243765D+01
                76            77            78            79            80 
      1  -0.741130D+00  0.706358D+00 -0.546167D+00  0.386783D+01  0.251663D+00
      2   0.706358D+00 -0.543378D-01  0.522277D+00  0.251663D+00  0.695791D+00
      3  -0.546167D+00  0.522277D+00 -0.299981D+00  0.316175D+01  0.817824D+00
                81            82            83            84            85 
      1   0.316175D+01  0.923460D+00  0.142394D+01 -0.781950D-01  0.162229D+01
      2   0.817824D+00  0.142394D+01  0.178331D+01  0.205074D+00  0.202608D+01
      3   0.421540D+01 -0.781950D-01  0.205074D+00 -0.712434D-01  0.244839D+00
                86            87            88            89            90 
      1   0.202608D+01  0.244839D+00 -0.633994D+00 -0.209119D+00 -0.265121D-01
      2   0.117395D+02  0.820133D+00 -0.209119D+00 -0.133374D+01  0.113535D+01
      3   0.820133D+00  0.111841D+01 -0.265121D-01  0.113535D+01  0.477267D+00
                91            92            93            94            95 
      1  -0.788724D+00 -0.118308D+00  0.921766D+00 -0.393826D+00 -0.417791D-02
      2  -0.118308D+00  0.189615D-01 -0.294616D+00 -0.417791D-02  0.678936D+00
      3   0.921766D+00 -0.294616D+00 -0.123349D+01  0.403011D-02  0.882209D+00
                96            97            98            99           100 
      1   0.403011D-02  0.143322D+01 -0.157769D-01 -0.868654D+00  0.935925D+01
      2   0.882209D+00 -0.157769D-01  0.174853D+01  0.182411D+01 -0.250078D+01
      3  -0.136890D+00 -0.868654D+00  0.182411D+01  0.844616D+01  0.282405D+01
               101           102           103           104           105 
      1  -0.250078D+01  0.282405D+01 -0.672123D+00  0.146361D+01  0.461086D+00
      2   0.195577D+01 -0.833636D+00  0.146361D+01 -0.164485D+01 -0.267538D+00
      3  -0.833636D+00  0.162320D+01  0.461086D+00 -0.267538D+00  0.180453D-02
               106           107           108           109           110 
      1   0.519149D+01 -0.834501D+00  0.136872D+01  0.107919D+01 -0.112602D+01
      2  -0.834501D+00  0.665437D-01 -0.397002D-01 -0.112602D+01 -0.861161D+00
      3   0.136872D+01 -0.397002D-01  0.110038D+01  0.184229D+00 -0.106140D+01
               111           112           113           114           115 
      1   0.184229D+00 -0.170205D+01  0.150796D+01  0.461546D+00 -0.648723D-01
      2  -0.106140D+01  0.150796D+01 -0.827733D+01 -0.298706D+01 -0.694969D-01
      3  -0.597596D+00  0.461546D+00 -0.298706D+01 -0.198695D+01 -0.197720D+00
               116           117           118           119           120 
      1  -0.694969D-01 -0.197720D+00 -0.516426D+00 -0.953626D+00 -0.479143D+00
      2  -0.414148D+01 -0.155597D+01 -0.953626D+00 -0.797154D+00 -0.376943D+00
      3  -0.155597D+01 -0.131679D+01 -0.479143D+00 -0.376943D+00 -0.697331D+00
               121           122           123           124           125 
      1  -0.179440D+01 -0.518324D+00 -0.482316D+00 -0.686153D-01 -0.460427D+00
      2  -0.518324D+00 -0.539471D+01 -0.324550D+01 -0.460427D+00 -0.263945D+01
      3  -0.482316D+00 -0.324550D+01 -0.295593D+01 -0.544554D+00 -0.259982D+01
               126           127           128           129           130 
      1  -0.544554D+00 -0.242305D+01 -0.153778D+01 -0.455507D+01 -0.177321D+01
      2  -0.259982D+01 -0.153778D+01  0.123121D+01  0.251469D+00  0.208499D+01
      3  -0.361820D+01 -0.455507D+01  0.251469D+00  0.202491D+01  0.596863D+00
               131           132           133           134           135 
      1   0.208499D+01  0.596863D+00 -0.479002D+01  0.476050D+00  0.220598D+01
      2   0.676689D+01 -0.820097D+00  0.476050D+00 -0.650378D-01 -0.238811D+01
      3  -0.820097D+00 -0.263246D+01  0.220598D+01 -0.238811D+01 -0.500045D+00
               136           137           138           139           140 
      1   0.706300D+00 -0.222949D+01 -0.407228D+01 -0.332534D+01  0.321974D+01
      2  -0.222949D+01  0.144940D+01  0.898091D-01  0.321974D+01  0.661968D+01
      3  -0.407228D+01  0.898091D-01  0.225298D+01  0.300104D+00  0.924972D+00
               141           142           143           144           145 
      1   0.300104D+00 -0.551981D+01  0.946909D+00  0.320831D+01 -0.606732D+01
      2   0.924972D+00  0.946909D+00  0.396951D+00 -0.251374D+01  0.410634D+01
      3  -0.274646D+01  0.320831D+01 -0.251374D+01  0.278974D+01  0.947101D+00
               146           147           148           149           150 
      1   0.410634D+01  0.947101D+00  0.328903D+01 -0.363100D+01 -0.219495D+00
      2  -0.449111D+01 -0.523294D+00 -0.363100D+01  0.518063D+01  0.870550D+00
      3  -0.523294D+00 -0.917460D+00 -0.219495D+00  0.870550D+00  0.826996D+00
               151           152           153           154           155 
      1   0.107587D+01 -0.366515D+00 -0.892700D+00 -0.446755D+01  0.801225D+00
      2  -0.366515D+00  0.111066D+01  0.119865D+01  0.801225D+00 -0.106296D+01
      3  -0.892700D+00  0.119865D+01  0.387565D+00 -0.315879D+01  0.670243D+00
               156           157           158           159           160 
      1  -0.315879D+01 -0.205267D+00 -0.431576D+00  0.613674D-01 -0.287426D+01
      2   0.670243D+00 -0.431576D+00  0.128266D+00 -0.724122D+00  0.530791D+00
      3  -0.394881D+01  0.613674D-01 -0.724122D+00  0.420854D+00 -0.314297D+01
               161           162           163           164           165 
      1   0.530791D+00 -0.314297D+01  0.297243D+01  0.186756D+01 -0.238100D+01
      2  -0.108228D+01  0.116405D+01  0.186756D+01  0.278895D+01 -0.206957D+01
      3   0.116405D+01 -0.544664D+01 -0.238100D+01 -0.206957D+01  0.301481D+01
               166           167           168           169           170 
      1   0.120109D+01  0.185419D+01 -0.120343D+01 -0.132516D+01 -0.105592D+01
      2   0.185419D+01  0.292293D+01 -0.206815D+01 -0.105592D+01 -0.155452D+01
      3  -0.120343D+01 -0.206815D+01  0.248000D+01  0.126720D+01  0.209014D+01
               171           172           173           174           175 
      1   0.126720D+01  0.516624D+01  0.620088D+00  0.166772D+01  0.772731D+00
      2   0.209014D+01  0.620088D+00  0.103201D+01 -0.283674D+00  0.433790D+00
      3  -0.339455D+01  0.166772D+01 -0.283674D+00  0.281869D+01 -0.999964D-01
               176           177           178           179           180 
      1   0.433790D+00 -0.999964D-01  0.166150D+01  0.486107D-01  0.139748D+01
      2  -0.327516D+00  0.373038D+00  0.486107D-01  0.431983D+00  0.157657D+00
      3   0.373038D+00  0.584306D+00  0.139748D+01  0.157657D+00  0.215834D+01
               181           182           183           184           185 
      1  -0.426937D+00 -0.913121D+00  0.714525D+00 -0.153489D+01 -0.174926D+01
      2  -0.913121D+00 -0.936446D+00  0.159823D+00 -0.174926D+01 -0.857609D+01
      3   0.714525D+00  0.159823D+00 -0.601952D+00  0.422835D+00  0.216493D+01
               186           187           188           189           190 
      1   0.422835D+00  0.235427D+00 -0.124962D+00 -0.380320D+00 -0.372617D+01
      2   0.216493D+01 -0.124962D+00 -0.589531D-02 -0.679982D+00  0.481851D+00
      3  -0.193764D+01 -0.380320D+00 -0.679982D+00  0.402666D+00  0.337403D+01
               191           192           193           194           195 
      1   0.481851D+00  0.337403D+01  0.155205D+01 -0.902843D+00 -0.118180D+01
      2  -0.115654D+01 -0.201519D+00 -0.902843D+00  0.252532D+00  0.969511D+00
      3  -0.201519D+00 -0.412902D+01 -0.118180D+01  0.969511D+00  0.229803D+01
               196           197           198           199           200 
      1   0.265548D+01 -0.230781D+00 -0.305502D+01 -0.141033D+01  0.749201D+00
      2  -0.230781D+00  0.780139D+00  0.708021D+00  0.749201D+00 -0.408434D+00
      3  -0.305502D+01  0.708021D+00  0.557048D+01 -0.117708D+01  0.301456D+00
               201           202           203           204           205 
      1  -0.117708D+01  0.181514D+01 -0.646326D+00  0.561979D+00 -0.283650D+01
      2   0.301456D+00 -0.646326D+00  0.375341D+00 -0.109948D+01  0.233002D-01
      3  -0.166860D+01  0.561979D+00 -0.109948D+01  0.171692D+01 -0.265404D+01
               206           207           208           209           210 
      1   0.233002D-01 -0.265404D+01 -0.721451D+01  0.959393D+00  0.256799D+01
      2  -0.143661D+01  0.130248D+01  0.959393D+00 -0.102380D+01 -0.460015D+00
      3   0.130248D+01 -0.565544D+01  0.256799D+01 -0.460015D+00 -0.189380D+01
               211           212           213           214           215 
      1   0.312815D+01 -0.163620D+01 -0.820665D+00  0.565489D+01 -0.588499D+00
      2  -0.163620D+01  0.324324D+00  0.533647D+00 -0.588499D+00  0.982545D+00
      3  -0.820665D+00  0.533647D+00  0.109621D+01 -0.269733D+01  0.700961D+00
               216           217           218           219           220 
      1  -0.269733D+01 -0.128152D+01 -0.980183D+00  0.200517D+00 -0.331902D+01
      2   0.700961D+00 -0.980183D+00 -0.900333D+00 -0.747288D-01 -0.358663D+01
      3   0.223706D+01  0.200517D+00 -0.747288D-01 -0.244145D+00 -0.522653D+00
               221           222           223           224           225 
      1  -0.358663D+01 -0.522653D+00  0.350683D+00 -0.252842D+00 -0.857384D+00
      2  -0.812813D+01 -0.751187D+00 -0.252842D+00 -0.460167D+00 -0.712145D+00
      3  -0.751187D+00 -0.113296D+01 -0.857384D+00 -0.712145D+00 -0.485159D+00
               226           227           228           229           230 
      1   0.287254D+01  0.234288D+01 -0.107368D+01  0.199323D+01  0.153924D+01
      2   0.234288D+01  0.271372D+01 -0.706188D+00  0.153924D+01  0.431761D+01
      3  -0.107368D+01 -0.706188D+00  0.116497D+01 -0.816883D+00 -0.116400D+01
               231           232           233           234 
      1  -0.816883D+00 -0.204432D+01 -0.128359D+01  0.156445D+01
      2  -0.116400D+01 -0.128359D+01 -0.344499D+01  0.127183D+01
      3   0.848100D+00  0.156445D+01  0.127183D+01 -0.192893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.195803D+01 -0.152453D+01  0.289016D+01  0.852607D+00 -0.308286D+01
      2  -0.643126D+01  0.678599D+01 -0.502632D+01  0.587806D+01  0.484123D+01
      3   0.805386D+01 -0.726978D+01 -0.679502D+01 -0.183833D+01  0.547312D+01
                 6             7             8             9            10 
      1  -0.137054D+01  0.341654D+01  0.927992D+01  0.253015D+01 -0.157313D+01
      2  -0.424227D+00 -0.994779D+01 -0.606782D+01 -0.362153D+00  0.195041D+01
      3  -0.169732D+01 -0.966881D+01 -0.260053D+01 -0.281341D+01 -0.608431D+00
                11            12            13            14            15 
      1  -0.314854D+01 -0.408604D+01 -0.289911D+01 -0.109229D+02 -0.376493D+01
      2  -0.201054D+01  0.290421D+00 -0.288611D+01  0.208724D+01  0.629578D+00
      3   0.698184D+01  0.424840D+01  0.110820D+02 -0.496961D+01 -0.303843D+00
                16            17            18            19            20 
      1  -0.504528D+01  0.538818D+01  0.147717D+02 -0.219477D+01  0.195387D+01
      2  -0.445633D+01  0.687333D+00 -0.517489D+01  0.202102D+01  0.656146D+01
      3   0.574596D+01  0.270972D+00  0.312262D+01  0.405823D+01 -0.214198D+01
                21            22            23            24            25 
      1  -0.629649D+01 -0.153402D+01 -0.902366D+01  0.715602D+01 -0.867759D+01
      2  -0.545319D+01  0.250643D+01 -0.632805D+01  0.771042D+01 -0.136837D+02
      3  -0.485100D+01  0.107300D+02 -0.173207D+02  0.746911D+01  0.977347D+00
                26            27            28            29            30 
      1   0.135295D+02  0.233347D+01 -0.851115D+01 -0.422603D+00  0.544079D+01
      2   0.740152D+01 -0.200673D+01 -0.798802D+01  0.399362D+01  0.678914D+01
      3   0.261995D+01 -0.134302D+00  0.834582D+01 -0.132552D+02  0.403965D+01
                31            32            33            34            35 
      1  -0.323375D+01  0.108223D+02 -0.821035D+01  0.184298D+01 -0.395501D+00
      2  -0.201114D+01  0.145346D+02 -0.778218D+01 -0.125038D+01 -0.414222D+01
      3  -0.720588D+00  0.466152D+01 -0.119026D+02  0.867675D+01 -0.161380D+02
                36            37            38            39            40 
      1   0.294264D+01 -0.737184D+00 -0.153821D+01  0.251711D+01 -0.424054D+01
      2  -0.247420D+01  0.105050D+02 -0.727030D+01 -0.137732D+01 -0.288967D+01
      3   0.206638D+01 -0.191861D+01 -0.734798D+00  0.145336D+01  0.811968D+01
                41            42            43            44            45 
      1   0.674824D+01 -0.835432D+01  0.617677D+01 -0.398543D+01 -0.219122D+01
      2   0.338504D+01 -0.171288D+01 -0.151899D+02  0.460409D+01  0.359564D+01
      3  -0.441592D+01 -0.190882D+01  0.196233D+01  0.575081D+00 -0.210249D+01
                46            47            48            49            50 
      1   0.338164D+01 -0.338179D+00 -0.137194D+01 -0.174638D+01 -0.338330D+01
      2  -0.125908D+02  0.120585D+01  0.853237D+01  0.297534D+01 -0.890197D+00
      3   0.392594D+01 -0.100379D+02 -0.187146D+01 -0.105893D+01 -0.129328D+02
                51            52            53            54            55 
      1  -0.166962D+01 -0.364915D+01  0.749657D+01  0.489497D+00  0.343330D+01
      2  -0.337108D+01  0.369239D+01 -0.697706D+01  0.355141D+01  0.241760D+01
      3  -0.142012D+01 -0.486078D+01  0.875857D+00  0.706652D+01 -0.266070D+01
                56            57            58            59            60 
      1   0.144350D+01  0.470170D+01  0.204403D+01  0.382337D+01 -0.461617D+01
      2   0.228887D+01  0.369591D+01  0.143986D+01  0.183344D+01 -0.120300D+01
      3  -0.412349D+01 -0.382760D+01  0.301660D+01  0.124775D+02 -0.169337D+01
                61            62            63            64            65 
      1   0.288577D+01  0.206648D+01 -0.104037D+02 -0.188146D+01  0.350445D+01
      2  -0.164691D+01 -0.248286D+01 -0.525012D+01 -0.182605D+01 -0.516916D+01
      3  -0.513613D+01 -0.353913D+01 -0.301186D+01  0.935507D+00 -0.685634D+01
                66            67            68            69            70 
      1  -0.956608D+01  0.646780D+01 -0.767325D+01  0.370365D+01 -0.687959D+01
      2   0.112738D+02 -0.274296D+01 -0.680044D+01  0.853928D+01  0.415276D+01
      3   0.738109D+01 -0.127132D+01 -0.967134D+00  0.310459D+01  0.522359D+01
                71            72            73            74            75 
      1   0.679552D+01  0.793168D+01 -0.285020D+01  0.613755D+00 -0.285400D+01
      2   0.673716D+01  0.644298D+01  0.257179D+01  0.141515D+01  0.634372D+01
      3   0.143582D+01  0.158342D+01  0.376029D+01 -0.400299D+01  0.222218D+01
                76            77            78            79            80 
      1   0.201230D+00 -0.531815D-01 -0.218030D+00 -0.306221D+01  0.135563D+01
      2  -0.545331D+00  0.449824D+00 -0.946074D+00  0.276737D+01  0.201633D+01
      3  -0.274381D+00  0.224481D+01 -0.995474D+00  0.459939D+01 -0.259310D+01
                81            82            83            84            85 
      1  -0.434835D+01  0.163504D+01  0.185144D+01  0.639679D-01  0.117356D+01
      2   0.902421D+01 -0.941092D+00 -0.103667D+01  0.146686D+01 -0.178765D+01
      3   0.241950D+01  0.205842D+01  0.568881D-02 -0.633032D+00  0.592732D+01
                86            87            88            89            90 
      1   0.948582D+01 -0.502291D+01  0.195599D+00 -0.205634D+01  0.175698D+00
      2  -0.136958D+01  0.889618D+00 -0.128034D+00  0.419567D+00  0.139307D+00
      3  -0.274283D+01  0.369403D+00 -0.196615D+01  0.598806D+00 -0.591729D+00
                91            92            93            94            95 
      1  -0.239529D+01 -0.501930D+00  0.282550D+01 -0.637754D+00 -0.136657D+01
      2   0.140224D+01  0.545398D+00 -0.534642D+00  0.120477D+01  0.589987D+00
      3  -0.229528D+01 -0.221215D+01  0.165831D+01 -0.634156D+00  0.995561D+00
                96            97            98            99           100 
      1   0.122338D+01  0.247040D+01  0.196455D+01 -0.176110D+02  0.733503D+01
      2  -0.477555D+00 -0.560540D+01  0.729460D+00  0.540557D+01  0.102639D+02
      3  -0.522265D+00  0.391152D+01 -0.729209D+00 -0.217743D+01 -0.107170D+02
               101           102           103           104           105 
      1  -0.108828D+01  0.361573D+01  0.236681D+00  0.286094D+00 -0.160698D+00
      2  -0.487281D+01  0.867372D+01  0.123973D+01 -0.140285D+01  0.460176D+00
      3  -0.361138D+01 -0.346256D+01 -0.102334D+01  0.112333D+01  0.505038D-01
               106           107           108           109           110 
      1   0.321886D+01  0.785135D+00  0.163480D+01  0.207483D+01 -0.184202D+01
      2   0.198000D+01  0.216987D+01  0.518496D+01 -0.202731D+00 -0.259551D+01
      3  -0.869902D+01  0.831265D+00 -0.172394D+01  0.251635D+01  0.333367D+01
               111           112           113           114           115 
      1  -0.194692D+01  0.156418D+01 -0.257283D+01 -0.588503D+01 -0.212679D+01
      2  -0.857685D+00 -0.136051D+01 -0.693578D+01 -0.411037D+01 -0.924776D+00
      3   0.237693D+01  0.227517D+01  0.190703D+02  0.752046D+01  0.125077D+01
               116           117           118           119           120 
      1   0.151985D+01 -0.338651D+01  0.778277D+00  0.603071D+00 -0.151331D+00
      2  -0.484558D+01 -0.242441D+01 -0.513787D+00 -0.542708D+00  0.912262D+00
      3   0.119847D+02  0.392005D+01  0.676772D-01 -0.829986D+00 -0.236686D+00
               121           122           123           124           125 
      1  -0.339331D+00  0.578323D+01 -0.150054D+01  0.187404D-01  0.353164D+01
      2  -0.319330D+01 -0.267186D+00  0.237487D+00 -0.269749D+01 -0.542837D+00
      3   0.517939D+01  0.145251D+00  0.229696D+00  0.133842D+01  0.138477D+00
               126           127           128           129           130 
      1  -0.102460D+01 -0.890933D+01  0.224233D+01  0.269974D+01  0.578873D+01
      2  -0.437572D+00  0.131889D+02  0.129867D+01  0.980614D+01  0.209702D+01
      3   0.290210D+00  0.220810D+01  0.126695D+01  0.659081D+01  0.586294D+01
               131           132           133           134           135 
      1   0.144738D+02 -0.855771D+01  0.313429D+01 -0.594708D+00 -0.626080D+01
      2  -0.229426D+01  0.224601D+01  0.529190D+01  0.279655D+01 -0.361310D+01
      3   0.686080D+01 -0.106562D+01  0.671651D+01 -0.120165D+00 -0.545368D+01
               136           137           138           139           140 
      1  -0.210294D+01 -0.152578D+00  0.273540D+01 -0.116264D+01 -0.155400D+01
      2   0.115008D+02 -0.193541D+01 -0.816398D+01 -0.281167D+01 -0.187877D+01
      3  -0.804019D+01  0.547789D+01  0.344867D+01  0.144492D+02  0.197620D+02
               141           142           143           144           145 
      1  -0.517535D+01  0.395851D+01 -0.887101D+00  0.409033D+01 -0.162070D+01
      2   0.906793D+01 -0.181475D+02  0.898126D+01 -0.106878D+02  0.723607D-01
      3   0.329213D+01  0.380823D+01  0.287305D+01 -0.117224D+02 -0.741355D+01
               146           147           148           149           150 
      1   0.208212D+00  0.325218D+01  0.369717D+00 -0.133720D+01 -0.419608D+01
      2   0.504809D+00  0.353395D+01 -0.501590D+00 -0.473729D+00 -0.241737D+01
      3  -0.127669D+01  0.929838D+00  0.492601D+01  0.253734D+00  0.200399D+00
               151           152           153           154           155 
      1   0.163659D+01 -0.589475D+00 -0.632607D+00  0.298799D+01  0.307261D+01
      2  -0.441458D+00 -0.115661D+01 -0.550738D+00 -0.986606D+01  0.216738D+00
      3   0.173825D+01  0.111073D+01 -0.188611D+00 -0.588299D+01 -0.191964D+01
               156           157           158           159           160 
      1   0.413010D+01  0.101482D+01  0.131227D+01 -0.592547D+00  0.325712D+01
      2  -0.230464D+01 -0.477106D+00 -0.636342D+00 -0.705401D+00 -0.668449D+01
      3  -0.313940D+01  0.991518D+00 -0.457705D-01 -0.384291D+00 -0.330713D+01
               161           162           163           164           165 
      1   0.261159D+01  0.351385D+01 -0.160244D+01 -0.493702D+01 -0.581531D+00
      2  -0.204704D+00 -0.215065D+01  0.959852D+01  0.470641D+01 -0.362384D+01
      3  -0.119038D+01 -0.301099D+01  0.585531D+01  0.149561D+01 -0.323141D+01
               166           167           168           169           170 
      1  -0.220153D+01 -0.389100D+01 -0.158348D+01  0.378134D+00  0.253677D+01
      2   0.454213D+01  0.480179D+01 -0.304382D+01 -0.471152D+01 -0.316109D+01
      3   0.460490D+01  0.198997D+01 -0.227261D+01 -0.276568D+01 -0.539520D+00
               171           172           173           174           175 
      1   0.432157D-01  0.410092D+01  0.380395D+01  0.231950D+01  0.211281D+01
      2   0.289869D+01 -0.178007D+02 -0.174726D+01 -0.343042D+01 -0.207489D+01
      3   0.225298D+01 -0.714593D+01 -0.212370D+01 -0.241714D+01  0.585554D+00
               176           177           178           179           180 
      1   0.909414D+00  0.260623D+00  0.216660D+01  0.230462D+01  0.231818D+01
      2  -0.157776D+01 -0.512437D+00 -0.667014D+01 -0.725129D+00 -0.382177D+01
      3  -0.928004D+00  0.937011D-02 -0.248558D+01 -0.753254D+00 -0.149569D+01
               181           182           183           184           185 
      1  -0.937823D+00 -0.178109D+01 -0.694777D+00 -0.307722D+01 -0.158360D+02
      2  -0.751007D+00  0.828113D+00  0.692971D+00  0.303475D+01 -0.238921D+00
      3  -0.115801D+01 -0.119278D+01  0.103025D+00  0.336989D+01 -0.875286D+01
               186           187           188           189           190 
      1  -0.160143D+01 -0.451400D+00  0.686538D+00 -0.123395D+01  0.500671D+01
      2   0.206992D+01 -0.912397D+00  0.274128D+00  0.388026D+00  0.412189D+01
      3   0.226290D+01 -0.731126D-01 -0.284191D+00 -0.170996D+00  0.364386D+01
               191           192           193           194           195 
      1  -0.409848D+01 -0.493387D+01 -0.276848D+01  0.222479D+01  0.307383D+01
      2  -0.109511D+01  0.871698D+00 -0.250056D+01  0.274013D-02 -0.127296D+01
      3  -0.365108D+01 -0.334035D+01 -0.145313D+01  0.138793D+01  0.201588D+01
               196           197           198           199           200 
      1  -0.399991D+01  0.465215D+01  0.714691D+01 -0.161109D+01  0.764937D+00
      2  -0.515306D+01 -0.211130D-01 -0.961928D+00  0.295913D+01 -0.231143D-01
      3  -0.296994D+01  0.232292D+01  0.366854D+01  0.283907D+01 -0.198627D+01
               201           202           203           204           205 
      1  -0.100624D+01  0.397576D+00 -0.162525D+01  0.140315D+01 -0.117113D+01
      2   0.499375D+01  0.847531D+00  0.337823D+01 -0.651290D+01  0.249664D+01
      3   0.150752D+01 -0.898125D+00  0.223683D+01 -0.386133D+01  0.107809D+01
               206           207           208           209           210 
      1   0.466981D+01 -0.515709D+01  0.174087D+01 -0.821657D+00 -0.987871D+00
      2  -0.540399D+01  0.176269D+02 -0.934325D+01  0.168347D+01  0.976801D+01
      3  -0.604509D+01  0.632676D+01  0.798492D+01 -0.653669D+01 -0.297762D+01
               211           212           213           214           215 
      1  -0.356354D+00  0.800816D+00 -0.309412D+00 -0.169338D+01  0.168326D+01
      2   0.301963D+01 -0.207228D+01 -0.455166D+01  0.746341D+01 -0.270710D+01
      3  -0.447049D+01  0.227383D+01  0.195426D+01 -0.436541D+01  0.476826D+01
               216           217           218           219           220 
      1   0.901693D+00  0.533682D+00  0.350913D+00 -0.415157D+00  0.348110D+00
      2  -0.874681D+01 -0.666052D+00  0.115984D-02  0.194342D+01  0.260531D+00
      3   0.398433D+01 -0.271245D+01 -0.373515D+01 -0.590175D+00 -0.431789D+01
               221           222           223           224           225 
      1   0.267356D+01 -0.395252D+01 -0.421325D+00  0.588160D+00 -0.387189D+00
      2   0.106701D+01  0.410456D+01  0.146959D+01  0.119569D+01  0.114086D+01
      3  -0.233368D+02 -0.172451D+01 -0.107623D+01 -0.162750D+01 -0.123337D+01
               226           227           228           229           230 
      1   0.196115D+01  0.178209D+01 -0.229963D+01  0.148176D+01  0.241795D+01
      2  -0.350923D+01 -0.317670D+01  0.485113D+01 -0.326329D+01 -0.380500D+01
      3  -0.183754D+01 -0.246918D+01  0.853660D+00  0.260375D+01 -0.840593D+01
               231           232           233           234 
      1  -0.374621D+01 -0.144186D+01 -0.353185D+01  0.237319D+01
      2   0.308893D+01  0.317391D+01  0.428703D+01 -0.687826D+01
      3   0.141601D+01  0.346809D+00  0.575420D+01 -0.870398D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.820849D+01 -0.930673D+01 -0.613885D+01 -0.244335D+01 -0.670261D+00
      2   0.723210D+01  0.619320D+01  0.848877D+01  0.705343D+00  0.225126D+01
      3   0.976389D+00  0.311353D+01 -0.234991D+01  0.173801D+01 -0.158100D+01
      4  -0.731441D+01 -0.184738D+02  0.235935D+01 -0.284521D+01 -0.231373D+02
      5  -0.922897D+01  0.183004D+00 -0.168356D+02  0.711741D+01  0.405838D+01
      6  -0.144090D+01  0.776091D+01 -0.223492D+01  0.448474D+01  0.430064D+01
                 6             7             8             9            10 
      1   0.752858D+01 -0.795696D+01  0.750506D+01 -0.134892D+02 -0.460251D+01
      2  -0.242385D+01  0.115029D+02  0.324394D+00  0.113426D+02  0.436294D+01
      3  -0.510473D+01 -0.354595D+01 -0.782945D+01  0.214655D+01  0.239577D+00
      4   0.707515D+01  0.800327D+01  0.171483D+02 -0.113167D+02 -0.960717D+00
      5   0.850038D+00 -0.210148D+02 -0.531305D+01 -0.854328D+01  0.234085D+01
      6  -0.193589D+01 -0.590354D+01 -0.640929D+01 -0.381839D-01  0.696867D+01
                11            12            13            14            15 
      1   0.863901D+01 -0.166959D+01  0.122745D+02  0.215356D+02 -0.241192D+01
      2  -0.129341D+02 -0.336205D+00 -0.150407D+02 -0.436827D+02  0.716171D+00
      3   0.429510D+01  0.200579D+01  0.276622D+01  0.221471D+02  0.169575D+01
      4  -0.256263D+01  0.198691D+01  0.166799D+01 -0.133568D+02 -0.657687D+00
      5   0.141717D+01  0.128868D+01  0.120135D+01 -0.340293D+01  0.736950D+00
      6  -0.160068D+01  0.694020D+01 -0.333211D+01 -0.310127D+01  0.398815D+01
                16            17            18            19            20 
      1  -0.182290D+01 -0.400128D+01  0.150509D+02 -0.184957D+02  0.916418D+01
      2  -0.316982D+01  0.112024D+02  0.789435D+01 -0.635788D+01  0.117197D+02
      3   0.499272D+01 -0.720109D+01 -0.229453D+02  0.248536D+02 -0.208839D+02
      4   0.209370D+01 -0.207006D+01  0.374231D+01  0.559654D+02 -0.388520D+02
      5   0.396999D+01  0.847413D+00  0.307328D+01  0.236626D+02 -0.708392D+01
      6   0.576165D+01  0.128493D+01 -0.173737D+02 -0.103954D+02  0.113234D+01
                21            22            23            24            25 
      1   0.132741D+02  0.225773D+02 -0.176145D+02 -0.111565D+02 -0.172186D+01
      2  -0.938350D+01 -0.284510D+01 -0.805771D+01  0.156888D+02 -0.844293D+00
      3  -0.389062D+01 -0.197322D+02  0.256722D+02 -0.453230D+01  0.256615D+01
      4  -0.739199D+01 -0.481152D+02  0.623812D+02  0.176398D+00 -0.376261D+01
      5  -0.104462D+02 -0.193304D+02  0.462748D+01  0.164470D+02  0.974349D+01
      6   0.107480D+02  0.707568D+01  0.324779D+01 -0.656837D+01  0.632713D+00
                26            27            28            29            30 
      1  -0.293197D+01 -0.423510D+01  0.681297D+01 -0.110353D+02 -0.231704D+02
      2   0.594137D+01 -0.823419D+01  0.495418D+01 -0.811225D+01  0.158058D+02
      3  -0.300940D+01  0.124693D+02 -0.117672D+02  0.191476D+02  0.736464D+01
      4  -0.333823D+01  0.870366D+01 -0.366019D+02  0.449220D+02  0.205066D+02
      5   0.137876D+01 -0.419593D+01 -0.431949D+02  0.176935D+02  0.181923D+02
      6   0.706233D+01 -0.148369D+01  0.211686D+02 -0.122870D+02 -0.970337D+01
                31            32            33            34            35 
      1  -0.148214D+02  0.200096D+02  0.175728D+02 -0.367131D+02  0.249169D+02
      2  -0.949302D+01  0.684014D+01 -0.221517D+02  0.243966D+02 -0.298386D+02
      3   0.243145D+02 -0.268497D+02  0.457888D+01  0.123165D+02  0.492171D+01
      4   0.531997D+02 -0.521780D+02  0.895268D+01  0.161286D+02  0.112318D+02
      5   0.893197D+01  0.975362D+01 -0.124415D+02  0.250373D+02 -0.186412D+02
      6  -0.435796D+01 -0.208527D+02  0.777845D+01 -0.145861D+02  0.141787D+02
                36            37            38            39            40 
      1   0.350141D+01  0.727602D+01 -0.601330D+01  0.196943D+01 -0.103028D+02
      2  -0.483713D+01  0.388563D+01 -0.118478D+00 -0.427248D+01 -0.383878D+00
      3   0.133571D+01 -0.111616D+02  0.613178D+01  0.230305D+01  0.106867D+02
      4  -0.176554D+02 -0.317661D+02  0.119572D+02  0.429376D+01  0.537968D+01
      5  -0.115925D+02 -0.474464D+01  0.151463D+00  0.958003D+00  0.353451D+01
      6  -0.126219D+01  0.419355D+01 -0.683800D+01 -0.412493D+01 -0.789021D+01
                41            42            43            44            45 
      1   0.245789D+02  0.773792D+01  0.146554D+02  0.528064D+01  0.444726D+01
      2  -0.666825D+01 -0.334684D+01 -0.929739D+01 -0.748043D+01 -0.896068D+00
      3  -0.179107D+02 -0.439109D+01 -0.535806D+01  0.219979D+01 -0.355119D+01
      4  -0.957674D+01 -0.201372D+01  0.124016D+02 -0.551750D+01 -0.597715D+01
      5  -0.576924D+01  0.227694D+01 -0.576473D+01  0.339857D+01 -0.194808D+01
      6  -0.369559D+01 -0.193549D+02 -0.153935D+01 -0.161433D+02 -0.154437D+01
                46            47            48            49            50 
      1  -0.127096D+02 -0.511514D+01 -0.126710D+02 -0.239194D+01  0.132733D+00
      2   0.228339D+00  0.316057D+01  0.107402D+02  0.646452D+01  0.897162D+00
      3   0.124813D+02  0.195457D+01  0.193080D+01 -0.407258D+01 -0.102990D+01
      4   0.310568D+01  0.350783D+01 -0.842219D+01  0.112948D+01  0.197886D+02
      5  -0.133447D+02 -0.152886D+01  0.837586D+01 -0.716604D+00 -0.164969D+01
      6  -0.550403D+01  0.376793D-01  0.330800D+01  0.893270D+00 -0.719583D+01
                51            52            53            54            55 
      1  -0.635685D+01 -0.168880D+02 -0.406554D+01  0.858709D+01 -0.429769D+01
      2  -0.289649D+01  0.127802D+02  0.149438D+01 -0.642304D+01 -0.752870D+01
      3   0.925334D+01  0.410776D+01  0.257117D+01 -0.216405D+01  0.118264D+02
      4  -0.157380D+01 -0.182096D+02  0.801733D-01  0.196772D+01  0.179683D+02
      5  -0.407197D+01  0.106586D+02 -0.441658D+01  0.187391D+01  0.455751D+01
      6   0.282268D+01  0.375820D+01 -0.305933D+00  0.273957D+00 -0.509567D+01
                56            57            58            59            60 
      1   0.169585D+01  0.363226D+01 -0.203258D+01 -0.135897D+02  0.809210D+00
      2   0.126079D+02 -0.483178D+01  0.101468D+02  0.697060D+01  0.546428D+00
      3  -0.143038D+02  0.119952D+01 -0.811418D+01  0.661908D+01 -0.135564D+01
      4  -0.218786D+02 -0.498698D+01 -0.205814D+02  0.113907D+02  0.598696D+01
      5  -0.367449D+01 -0.119394D+01 -0.619395D+01  0.637212D+01  0.299341D+01
      6  -0.141001D+01 -0.746205D+01  0.948133D+00  0.339011D+01 -0.789289D+00
                61            62            63            64            65 
      1   0.316742D+01  0.354075D+01  0.243319D+01  0.659739D+01  0.960975D+01
      2  -0.218660D+01 -0.920738D+01  0.471923D+01  0.599016D+01 -0.688101D+01
      3  -0.980815D+00  0.566663D+01 -0.715242D+01 -0.125876D+02 -0.272875D+01
      4  -0.199294D+01  0.784738D+01 -0.264129D+01 -0.689913D-01 -0.517626D+01
      5   0.100478D+01 -0.272840D-01 -0.948204D+00 -0.503080D+01  0.762148D+01
      6  -0.501803D+01  0.304682D+01  0.104833D+02  0.122087D+02  0.147081D+02
                66            67            68            69            70 
      1  -0.356933D+01  0.145427D+02 -0.942675D+01 -0.189301D+01  0.414900D+00
      2   0.142981D+02 -0.380331D+01  0.383507D+01 -0.642745D+01  0.112306D+02
      3  -0.107288D+02 -0.107394D+02  0.559168D+01  0.832046D+01 -0.116455D+02
      4   0.745181D+01 -0.332469D+01 -0.408084D+01  0.365229D+01  0.732757D-01
      5  -0.171108D+02  0.208963D+01  0.869415D+01 -0.954450D+01 -0.150190D+02
      6  -0.184184D+01  0.131590D+02 -0.113207D+02 -0.314897D+00  0.198201D+01
                71            72            73            74            75 
      1  -0.551729D+01 -0.591197D+01  0.236927D+02  0.236138D+01  0.108771D+02
      2   0.975054D+00 -0.191176D+01 -0.178154D+02 -0.195572D+01 -0.115415D+02
      3   0.454224D+01  0.782373D+01 -0.587739D+01 -0.405665D+00  0.664422D+00
      4   0.604851D+01  0.268640D+01  0.830312D+01  0.950384D+01  0.540981D+01
      5  -0.265667D+01 -0.488215D+01  0.199434D+02  0.331446D+01  0.181145D+02
      6  -0.308780D+01  0.240425D+01  0.240302D+01  0.143324D+01  0.343061D+01
                76            77            78            79            80 
      1  -0.486130D+01  0.103642D+01 -0.255027D+01  0.146038D+02 -0.404554D+00
      2   0.435581D+01 -0.425257D+00  0.332260D+01 -0.152734D+02 -0.224842D-01
      3   0.505496D+00 -0.611159D+00 -0.772331D+00  0.669534D+00  0.427038D+00
      4   0.577447D+01  0.743056D+00  0.244732D+01  0.686590D+01  0.388933D+01
      5  -0.320480D+01  0.350890D+01 -0.241271D+01  0.225187D+02  0.502528D+01
      6   0.214536D+01 -0.177885D+00  0.380942D+01  0.382689D+01  0.498718D+01
                81            82            83            84            85 
      1   0.719772D+01 -0.388649D+00 -0.262349D+01 -0.344247D+00 -0.355461D+01
      2  -0.159604D+02  0.647345D+01  0.843203D+01  0.959066D+00  0.971290D+01
      3   0.876269D+01 -0.608480D+01 -0.580854D+01 -0.614820D+00 -0.615829D+01
      4   0.794991D+01  0.672678D+01  0.135974D+02  0.823768D+00  0.117439D+02
      5   0.256233D+02  0.148748D+01  0.225119D+01  0.208361D+01  0.209979D+01
      6   0.509734D+01  0.907693D+00  0.253715D+01  0.723529D+00  0.319607D+01
                86            87            88            89            90 
      1  -0.391803D+02 -0.360672D+01  0.199343D+00  0.295855D+01 -0.539991D+01
      2   0.722265D+02  0.326335D+01 -0.740853D+00 -0.799363D+01  0.419808D+01
      3  -0.330463D+02  0.343369D+00  0.541510D+00  0.503508D+01  0.120183D+01
      4   0.218356D+02  0.202912D+01 -0.157873D+01 -0.235013D+01  0.134398D+01
      5   0.294228D+01  0.192432D+01  0.103607D+01  0.190877D+01 -0.280060D+00
      6   0.141547D+02  0.955479D+01  0.359890D+00  0.799991D+01  0.135052D+01
                91            92            93            94            95 
      1  -0.836944D+00  0.104084D+01  0.343590D+01 -0.167607D+01 -0.548192D+01
      2  -0.343138D+01 -0.277890D+00 -0.440112D-01  0.859504D+00  0.551093D+01
      3   0.426832D+01 -0.762951D+00 -0.339189D+01  0.816563D+00 -0.290098D-01
      4  -0.199693D+01  0.327269D+01  0.299552D+01  0.693540D+00 -0.203168D+00
      5  -0.209307D+01  0.920904D+00  0.621698D+01 -0.330605D+00 -0.162994D+00
      6   0.223726D+01 -0.256177D+01 -0.484374D+01 -0.103167D+01  0.319256D+01
                96            97            98            99           100 
      1  -0.137907D+01  0.423020D+01 -0.852021D+01 -0.251270D+02  0.613886D+02
      2   0.321515D+01  0.903537D+00  0.347840D+01 -0.126744D+02 -0.283130D+02
      3  -0.183607D+01 -0.513373D+01  0.504181D+01  0.378015D+02 -0.330756D+02
      4  -0.232754D+00  0.374888D+01  0.222242D+00 -0.495132D-01 -0.323945D+02
      5  -0.636543D+00  0.554439D+01  0.712445D+00  0.219075D+01  0.173459D+02
      6   0.465538D+01 -0.248681D+01  0.127289D+02  0.287955D+02 -0.102705D+02
               101           102           103           104           105 
      1  -0.106608D+02  0.146713D+02 -0.726568D+00  0.430033D+01  0.893227D+00
      2   0.118946D+01 -0.738029D+01 -0.369782D+01  0.296059D+01 -0.274889D+00
      3   0.947136D+01 -0.729101D+01  0.442439D+01 -0.726092D+01 -0.618338D+00
      4   0.184708D+02 -0.972275D+01  0.124650D+02 -0.984018D+01 -0.434564D+00
      5  -0.581102D+01  0.118397D+02  0.327535D+01 -0.137240D+01 -0.269744D+00
      6   0.408823D+01 -0.624270D+01 -0.533495D+00  0.171105D+01  0.166646D+01
               106           107           108           109           110 
      1   0.314080D+02 -0.770659D+01  0.764900D+01  0.403618D+01 -0.980953D+01
      2  -0.170973D+02  0.348996D+01 -0.631739D+01  0.172464D+01  0.687106D+01
      3  -0.143107D+02  0.421663D+01 -0.133162D+01 -0.576082D+01  0.293847D+01
      4  -0.139334D+02  0.348159D+01 -0.333706D+01 -0.503769D+01  0.425725D+01
      5   0.906464D+01 -0.299499D-01  0.933238D+01  0.168996D+01 -0.261966D+01
      6  -0.378264D+01  0.153530D+01 -0.339968D+01 -0.111619D+00  0.616783D+01
               111           112           113           114           115 
      1  -0.259023D+01 -0.357389D+01 -0.247027D+02 -0.101342D+02  0.647398D+00
      2   0.242008D+01 -0.183426D+01  0.416435D+02  0.121757D+02 -0.255614D+01
      3   0.170147D+00  0.540815D+01 -0.169408D+02 -0.204147D+01  0.190874D+01
      4  -0.246262D+01  0.136010D+02 -0.312144D+02 -0.112026D+02  0.485463D+00
      5  -0.104219D+01  0.389108D+01 -0.135027D+02 -0.892292D+01  0.520225D+00
      6   0.363221D+01 -0.383712D+01  0.215419D+02  0.135221D+02  0.517651D+00
               116           117           118           119           120 
      1  -0.159756D+02 -0.874801D+01 -0.476093D-01 -0.135592D+01 -0.153453D+01
      2   0.209882D+02  0.684232D+01  0.169852D+00  0.666741D+00  0.203057D+00
      3  -0.501258D+01  0.190569D+01 -0.122242D+00  0.689177D+00  0.133147D+01
      4  -0.118085D+02 -0.409487D+01  0.236603D+01  0.727780D+01  0.344983D+01
      5  -0.553624D+01 -0.410897D+01  0.813987D+00  0.448435D+01  0.553189D+01
      6   0.113823D+02  0.916250D+01  0.468931D+01  0.185650D+01  0.272342D+01
               121           122           123           124           125 
      1  -0.293091D+01 -0.179842D+02 -0.128585D+02 -0.437196D+00 -0.999802D+01
      2   0.155158D+01  0.154865D+02  0.509317D+01  0.439473D+00  0.271648D+01
      3   0.137933D+01  0.249774D+01  0.776533D+01 -0.227702D-02  0.728154D+01
      4   0.671072D+01  0.494218D+01  0.271137D+01  0.111731D+01  0.210002D+01
      5   0.371387D+01  0.139131D+01  0.195907D+01  0.348536D+01  0.131599D+01
      6   0.206205D+01  0.219604D+02  0.187946D+02  0.237820D+01  0.163134D+02
               126           127           128           129           130 
      1  -0.145597D+02  0.116038D+02  0.370605D+01  0.669845D+01  0.593113D+01
      2  -0.124329D+01  0.106277D+02 -0.655749D+01 -0.124005D+02 -0.124814D+02
      3   0.158030D+02 -0.222315D+02  0.285145D+01  0.570208D+01  0.655026D+01
      4   0.304649D+01  0.738493D+01  0.674615D+00  0.382003D+01 -0.128480D+01
      5   0.116228D+01  0.577770D+01 -0.476088D+01 -0.204556D+02 -0.633100D+01
      6   0.157374D+02 -0.454187D+00  0.363580D+01  0.259420D+01  0.556785D+01
               131           132           133           134           135 
      1   0.908368D+01  0.229812D+01  0.629105D+01  0.524323D+01 -0.119474D+02
      2  -0.238535D+02  0.134852D+02 -0.116465D+02  0.538331D+01  0.122571D+02
      3   0.147698D+02 -0.157834D+02  0.535549D+01 -0.106265D+02 -0.309761D+00
      4  -0.176397D+02  0.190740D+01  0.558656D+01  0.687887D-01  0.151669D+01
      5   0.432213D+01  0.959369D+01 -0.204123D+02  0.564983D+01  0.107844D+02
      6   0.209680D+02  0.930167D+00  0.990250D+00  0.445598D+01 -0.120854D+02
               136           137           138           139           140 
      1  -0.112460D+01  0.155734D+02  0.239609D+02  0.219182D+02  0.886662D+00
      2   0.289462D+01 -0.118712D+02 -0.116226D+02 -0.200017D+02 -0.145156D+02
      3  -0.177002D+01 -0.370212D+01 -0.123383D+02 -0.191656D+01  0.136290D+02
      4   0.144159D+02 -0.587894D+01  0.223695D+01 -0.116445D+02 -0.353656D+02
      5   0.251827D+02 -0.105941D+01 -0.137504D+02 -0.276576D+01 -0.380426D+01
      6   0.392180D+01 -0.920592D+00 -0.156465D+01 -0.183407D+01 -0.592503D+01
               141           142           143           144           145 
      1  -0.104910D+01  0.290758D+02 -0.212480D+01 -0.184093D+02  0.155904D+02
      2  -0.186969D+01 -0.140397D+02 -0.214124D+01  0.159898D+02  0.312961D+01
      3   0.291878D+01 -0.150361D+02  0.426604D+01  0.241951D+01 -0.187200D+02
      4  -0.331535D+01  0.290351D+01 -0.353850D+01  0.118131D+02 -0.301521D+02
      5   0.144940D+02 -0.202232D+02  0.134463D+02 -0.150100D+02 -0.399218D+01
      6   0.196796D+01 -0.177205D+01  0.263988D+01 -0.126615D+01  0.194028D+01
               146           147           148           149           150 
      1  -0.449767D+01 -0.181794D+01 -0.152832D+01 -0.463515D+01 -0.540427D+00
      2  -0.114977D+02  0.123344D+00 -0.113381D+02  0.223314D+02  0.282861D+01
      3   0.159954D+02  0.169459D+01  0.128664D+02 -0.176963D+02 -0.228818D+01
      4   0.275852D+02  0.376442D+01  0.231319D+02 -0.259656D+02 -0.331685D+01
      5   0.236368D+01  0.605845D+01  0.187846D+01 -0.255171D+01 -0.270188D+01
      6  -0.174747D+01 -0.367770D+01 -0.137182D+01  0.237430D+01  0.658007D+01
               151           152           153           154           155 
      1  -0.153646D+01 -0.659515D+00 -0.119364D+01  0.357474D+01  0.251964D+01
      2   0.145927D+00  0.341705D+01  0.203462D+01 -0.122519D+02 -0.200858D+00
      3   0.139053D+01 -0.275754D+01 -0.840987D+00  0.867714D+01 -0.231879D+01
      4   0.383829D+01 -0.388792D+01 -0.517692D+01 -0.450660D+01  0.471266D+01
      5   0.564327D+01 -0.425329D+01 -0.235171D+01  0.194170D+02 -0.497069D+01
      6  -0.388625D+01  0.769433D+01  0.110026D+01 -0.870551D+01  0.520008D+01
               156           157           158           159           160 
      1  -0.443688D+01 -0.126210D+01 -0.619544D+00  0.946497D+00 -0.247680D+01
      2  -0.123321D+02 -0.588628D+00 -0.752883D+00 -0.163704D+01 -0.106180D+02
      3   0.167690D+02  0.185073D+01  0.137243D+01  0.690542D+00  0.130948D+02
      4  -0.545788D+01  0.498120D+01 -0.143725D+01  0.241149D+01 -0.421523D+01
      5   0.189491D+02 -0.109985D+01  0.301327D+01 -0.897590D+00  0.167090D+02
      6  -0.960995D+01  0.260545D+01 -0.221874D+01  0.678477D+01 -0.648075D+01
               161           162           163           164           165 
      1   0.362660D+01 -0.113534D+02 -0.296871D+01 -0.802179D+01  0.895211D+01
      2   0.692400D+00 -0.161336D+02 -0.148045D+01  0.485912D+01  0.145633D+01
      3  -0.431900D+01  0.274870D+02  0.444917D+01  0.316267D+01 -0.104084D+02
      4   0.245373D+01 -0.371096D+01  0.815258D+01  0.822893D+01 -0.666813D+01
      5  -0.291869D+01  0.198236D+02 -0.112512D+02 -0.745240D+01  0.127149D+02
      6   0.788891D+01 -0.124629D+02 -0.941654D+01 -0.137411D+02  0.128027D+02
               166           167           168           169           170 
      1  -0.475722D+01 -0.104109D+02  0.928897D+01  0.363085D+01  0.745389D+01
      2   0.273157D+01  0.998214D+01 -0.161753D+01  0.599264D+00 -0.594774D+00
      3   0.202565D+01  0.428765D+00 -0.767144D+01 -0.423011D+01 -0.685911D+01
      4   0.754534D+01  0.586076D+01 -0.464129D+01 -0.445783D+01 -0.412547D+01
      5  -0.550957D+01 -0.657657D+01  0.513551D+01  0.897512D+01  0.463239D+01
      6  -0.831889D+01 -0.141053D+02  0.148206D+02  0.600020D+01  0.120247D+02
               171           172           173           174           175 
      1  -0.106877D+02 -0.453891D+01  0.892861D+00 -0.105217D+02 -0.971518D+00
      2  -0.347992D+01 -0.414743D+01 -0.701404D+00 -0.422484D+01  0.146556D+01
      3   0.141677D+02  0.868634D+01 -0.191457D+00  0.147465D+02 -0.494044D+00
      4   0.437871D+01 -0.903784D+01  0.499261D+00 -0.194233D+01  0.144607D+01
      5  -0.752363D+01  0.131542D+02  0.161385D+01  0.799857D+01  0.178195D+01
      6  -0.142303D+02  0.221886D+00  0.460885D+01 -0.545262D+01  0.192438D+01
               176           177           178           179           180 
      1  -0.282169D+01 -0.619938D+00 -0.578143D+01 -0.152788D+00 -0.637554D+01
      2   0.364812D+01 -0.261286D+01 -0.251366D+01 -0.116755D+01 -0.620264D+01
      3  -0.826432D+00  0.323280D+01  0.829509D+01  0.132033D+01  0.125782D+02
      4   0.118178D+01  0.692487D-01 -0.258597D+01  0.540409D+00 -0.293057D+01
      5   0.145593D+01 -0.157000D+01  0.982396D+01 -0.738814D-02  0.483236D+01
      6  -0.154150D+01  0.203150D+01 -0.212445D+01  0.284990D+01 -0.187909D+01
               181           182           183           184           185 
      1  -0.240373D+00  0.130046D+01 -0.381964D+00 -0.201547D+00 -0.204189D+02
      2   0.137095D+01  0.179948D+01  0.143962D+01  0.489757D+01  0.370910D+02
      3  -0.113057D+01 -0.309994D+01 -0.105766D+01 -0.469603D+01 -0.166721D+02
      4   0.410603D+01  0.786340D+01 -0.228113D+01  0.109179D+02  0.208303D+02
      5  -0.243614D+01 -0.304711D+01  0.497983D+01 -0.474520D+01 -0.580742D+01
      6  -0.279136D+01 -0.316057D+01  0.118092D+01 -0.591473D+01 -0.294798D+02
               186           187           188           189           190 
      1   0.828529D+01  0.271080D+00  0.171013D+01 -0.241430D+01  0.878955D+01
      2  -0.507508D+01  0.180611D+01  0.168592D+01  0.836549D+00 -0.166464D+02
      3  -0.321020D+01 -0.207719D+01 -0.339605D+01  0.157775D+01  0.785688D+01
      4  -0.517683D+01  0.132893D+00  0.731081D+00  0.198060D+01  0.252701D+01
      5   0.446851D+01  0.307150D+01  0.127900D+01 -0.168579D+01 -0.225527D+02
      6   0.142687D+02  0.110851D+01  0.630843D+01 -0.267481D+01 -0.243998D+00
               191           192           193           194           195 
      1  -0.206383D+01 -0.709657D+00 -0.340158D+01 -0.726933D+00 -0.173084D+01
      2   0.383823D+01  0.163750D+02  0.678327D+01 -0.572373D+00 -0.863118D+01
      3  -0.177440D+01 -0.156653D+02 -0.338169D+01  0.129931D+01  0.103620D+02
      4   0.409763D+01 -0.311105D+01  0.285643D+01 -0.928422D+00 -0.276126D+01
      5   0.259652D+01  0.244111D+02  0.873115D+01 -0.533174D+01 -0.987245D+01
      6  -0.557945D+01  0.178860D+01 -0.413199D+01  0.207273D+01  0.485455D+01
               196           197           198           199           200 
      1  -0.165624D+01 -0.260250D+00 -0.672670D+01  0.912999D+01 -0.394286D+01
      2   0.134069D+02 -0.356892D+01 -0.215647D+02 -0.787406D+01  0.301814D+01
      3  -0.117506D+02  0.382917D+01  0.282914D+02 -0.125593D+01  0.924724D+00
      4  -0.240983D+01 -0.296099D+01  0.170324D+01 -0.274644D+01  0.303334D+01
      5   0.199642D+02 -0.294735D+01 -0.254413D+02  0.827777D+01 -0.296660D+01
      6   0.658112D+00  0.575409D+01 -0.107305D+01 -0.568134D+00  0.577750D+00
               201           202           203           204           205 
      1   0.559717D+01 -0.100791D+02  0.733891D+00 -0.173649D+01  0.139843D+02
      2  -0.613076D+01  0.676010D+01  0.195154D-01  0.352061D+01 -0.115593D+02
      3   0.533592D+00  0.331901D+01 -0.753406D+00 -0.178412D+01 -0.242505D+01
      4  -0.162187D+01  0.424688D+01 -0.205694D+01  0.570114D+01  0.383881D+00
      5   0.138864D+02 -0.521256D+01  0.548894D+01 -0.101667D+02  0.207314D+02
      6   0.664934D+00  0.728475D+00 -0.149675D+01  0.229087D+01  0.227169D+01
               206           207           208           209           210 
      1  -0.407626D+00  0.636974D+01  0.522013D+02 -0.851403D+01 -0.171677D+02
      2   0.335478D+01 -0.167870D+02 -0.283351D+02  0.529077D+01  0.982481D+01
      3  -0.294716D+01  0.104172D+02 -0.238662D+02  0.322326D+01  0.734290D+01
      4   0.853910D+01 -0.516208D+01 -0.245351D+01  0.897774D+01  0.115975D+01
      5  -0.692265D+01  0.329154D+02 -0.185258D+02  0.290231D+01  0.156869D+02
      6   0.325202D+01  0.327631D+01 -0.187283D+01 -0.111870D-01  0.194510D+01
               211           212           213           214           215 
      1  -0.190050D+02  0.640480D+01  0.449773D+01 -0.329615D+02  0.391830D+01
      2   0.111339D+02 -0.145284D+01 -0.257682D+01  0.189678D+02 -0.252101D+01
      3   0.787113D+01 -0.495196D+01 -0.192091D+01  0.139936D+02 -0.139729D+01
      4   0.102034D+02 -0.249491D+01 -0.381195D+01 -0.231345D+00 -0.701239D+01
      5   0.601443D+01 -0.369153D+01 -0.736554D+01  0.207469D+02 -0.458844D+01
      6  -0.691228D+00  0.152825D+01  0.137167D+01  0.159381D+01  0.138759D+01
               216           217           218           219           220 
      1   0.135037D+02  0.707545D+01  0.525376D+01 -0.116011D+01  0.107387D+02
      2  -0.114631D+02 -0.554954D+00 -0.599367D+00  0.925279D+00  0.353522D+01
      3  -0.204058D+01 -0.652049D+01 -0.465440D+01  0.234827D+00 -0.142739D+02
      4  -0.269269D+01  0.763430D+01  0.116427D+02  0.100369D+01  0.264657D+02
      5  -0.162787D+02 -0.682658D+00  0.162910D+01  0.323722D+01  0.407933D+01
      6  -0.128314D+01  0.686899D+00  0.830626D+00  0.338036D+00  0.327941D+01
               221           222           223           224           225 
      1  -0.468542D+01  0.269201D+00 -0.259317D+01 -0.110450D+00  0.111045D+01
      2   0.259889D+02  0.748640D+00  0.117917D+01  0.748165D+00  0.550821D-01
      3  -0.213035D+02 -0.101784D+01  0.141399D+01 -0.637716D+00 -0.116553D+01
      4   0.474590D+02  0.430382D+01  0.122477D+01  0.286914D+01  0.384441D+01
      5   0.442574D+01  0.714989D+01  0.616632D+01  0.381287D+01  0.275814D+01
      6   0.758056D+01  0.724976D+01  0.257153D+01  0.593530D+01  0.134683D+01
               226           227           228           229           230 
      1   0.160544D+02  0.109029D+02 -0.480156D+01  0.768955D+01  0.239240D+01
      2  -0.598928D+01 -0.278873D+01  0.124978D+01  0.103848D+00  0.604531D+01
      3  -0.100651D+02 -0.811419D+01  0.355178D+01 -0.779340D+01 -0.843770D+01
      4   0.186563D+02  0.215506D+02 -0.607621D+01  0.151582D+02  0.253375D+02
      5  -0.628598D+01 -0.305087D+01  0.764673D+01 -0.290000D+01 -0.643104D+01
      6  -0.467693D+01 -0.471728D+01  0.393799D+01 -0.453720D+01 -0.579477D+01
               231           232           233           234 
      1  -0.284839D+01 -0.102257D+02 -0.406223D+01  0.517112D+01
      2  -0.157364D+01  0.399296D+01 -0.210095D+01 -0.359841D+01
      3   0.442203D+01  0.623269D+01  0.616319D+01 -0.157271D+01
      4  -0.799841D+01 -0.116105D+02 -0.206419D+02  0.100679D+02
      5   0.284470D+01  0.954142D+01  0.712584D+01 -0.929222D+01
      6   0.655668D+01  0.544337D+01  0.804618D+01 -0.585440D+01
 Leave Link  716 at Fri Jul 16 21:27:19 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.131523D+03 -0.772526D+01  0.287328D+00
      2  -0.772526D+01  0.122811D+03  0.111706D+01
      3   0.287328D+00  0.111706D+01  0.107336D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.384828D+01 -0.338085D+01  0.316102D+01
      2   0.712521D+01  0.261576D+01 -0.760557D+01
      3   0.106512D+02 -0.968456D+01 -0.652517D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.122561D+02 -0.312460D+02  0.322227D+01
      2   0.199863D+02 -0.843987D+01 -0.801752D+01
      3  -0.322423D+02  0.396858D+02  0.479526D+01
      4  -0.759020D+02  0.589974D+02  0.137912D+02
      5   0.574815D+01  0.199791D+02 -0.217931D+02
      6   0.101782D+02 -0.319515D+01 -0.152843D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.202575D+01 -0.182059D+01 -0.158098D+01 -0.842515D+00  0.118741D+01
      2  -0.182059D+01 -0.185069D+01  0.923848D+00  0.118741D+01 -0.399340D+01
      3  -0.158098D+01  0.923848D+00 -0.274851D+01  0.180607D+01  0.108175D+01
                 6             7             8             9            10 
      1   0.180607D+01 -0.321126D+01  0.188998D+01 -0.349694D+01 -0.421220D-01
      2   0.108175D+01  0.188998D+01  0.246587D+01 -0.985878D+00  0.204140D+01
      3  -0.913795D-01 -0.349694D+01 -0.985878D+00 -0.662304D+00  0.144711D+01
                11            12            13            14            15 
      1   0.204140D+01  0.144711D+01  0.172980D+01 -0.307824D+01 -0.120649D+00
      2  -0.319526D+01 -0.227748D-01 -0.307824D+01 -0.651566D+01  0.597793D+00
      3  -0.227748D-01  0.181552D+01 -0.120649D+00  0.597793D+00  0.829589D+00
                16            17            18            19            20 
      1   0.197832D+01  0.111576D+00  0.180924D+01 -0.132050D+02  0.951879D+01
      2   0.111576D+00  0.125718D+01 -0.279216D+00  0.951879D+01 -0.780961D+01
      3   0.180924D+01 -0.279216D+00 -0.559999D+01  0.324215D+01 -0.380897D+00
                21            22            23            24            25 
      1   0.324215D+01  0.914296D+01 -0.809063D+01 -0.181049D+01  0.886379D-01
      2  -0.380897D+00 -0.809063D+01  0.109116D+02 -0.194537D+01  0.415010D+00
      3  -0.185013D+01 -0.181049D+01 -0.194537D+01  0.261404D+01 -0.894943D+00
                26            27            28            29            30 
      1   0.415010D+00 -0.894943D+00  0.692356D+01 -0.668772D+01 -0.570956D+01
      2  -0.155988D+01  0.901546D+00 -0.668772D+01  0.757932D+01  0.240399D+01
      3   0.901546D+00  0.126386D+00 -0.570956D+01  0.240399D+01  0.260713D+01
                31            32            33            34            35 
      1  -0.950998D+01  0.854054D+01  0.817457D+00 -0.645841D+01  0.129659D+01
      2   0.854054D+01 -0.876866D+01  0.384384D+01  0.129659D+01  0.488066D+01
      3   0.817457D+00  0.384384D+01 -0.245812D+01  0.351093D+01 -0.315483D+01
                36            37            38            39            40 
      1   0.351093D+01  0.117549D+02 -0.566129D+01 -0.357460D+01 -0.199694D+01
      2  -0.315483D+01 -0.566129D+01  0.354727D+01 -0.619251D+00  0.258225D+01
      3  -0.955870D+00 -0.357460D+01 -0.619251D+00  0.242140D+01 -0.868455D+00
                41            42            43            44            45 
      1   0.258225D+01 -0.868455D+00 -0.655595D+01  0.420518D+00  0.283290D+01
      2   0.137965D+01  0.528258D+01  0.420518D+00  0.485602D+01  0.127614D+01
      3   0.528258D+01  0.960705D+00  0.283290D+01  0.127614D+01 -0.113786D+01
                46            47            48            49            50 
      1  -0.483772D+01  0.304786D+01  0.560102D+01  0.403563D+01 -0.473284D+01
      2   0.304786D+01 -0.273416D+01  0.289726D-01 -0.473284D+01 -0.685095D+01
      3   0.560102D+01  0.289726D-01 -0.217867D+01 -0.228675D+00 -0.447706D+00
                51            52            53            54            55 
      1  -0.228675D+00  0.108490D+02 -0.196826D+01 -0.266429D+01  0.204901D+01
      2  -0.447706D+00 -0.196826D+01  0.110435D+01  0.214336D+01 -0.313440D+01
      3   0.158900D+01 -0.266429D+01  0.214336D+01 -0.637944D+00 -0.232138D+01
                56            57            58            59            60 
      1  -0.313440D+01 -0.232138D+01 -0.320270D+01  0.581540D+01  0.208235D+00
      2   0.541587D+01 -0.195306D-01  0.581540D+01  0.338895D+01 -0.225852D+01
      3  -0.195306D-01 -0.110139D+01  0.208235D+00 -0.225852D+01  0.161916D+01
                61            62            63            64            65 
      1  -0.229363D+01 -0.574763D+00 -0.130868D+01  0.160522D+00 -0.878158D+00
      2  -0.574763D+00 -0.290128D+01  0.372855D+00 -0.878158D+00 -0.365697D+01
      3  -0.130868D+01  0.372855D+00  0.440468D+01  0.397158D+01  0.244627D+01
                66            67            68            69            70 
      1   0.397158D+01  0.731294D+00 -0.395350D+01  0.297526D+01  0.363442D+01
      2   0.244627D+01 -0.395350D+01  0.354483D+01 -0.108851D+01  0.162445D+01
      3   0.170090D+01  0.297526D+01 -0.108851D+01 -0.262536D+01  0.135508D+01
                71            72            73            74            75 
      1   0.162445D+01  0.135508D+01  0.446567D+01  0.580957D+00  0.249795D+01
      2  -0.151911D+00 -0.215559D+01  0.580957D+00  0.136883D+01  0.447087D+00
      3  -0.215559D+01 -0.976408D+00  0.249795D+01  0.447087D+00  0.243765D+01
                76            77            78            79            80 
      1  -0.741130D+00  0.706358D+00 -0.546167D+00  0.386783D+01  0.251663D+00
      2   0.706358D+00 -0.543378D-01  0.522277D+00  0.251663D+00  0.695791D+00
      3  -0.546167D+00  0.522277D+00 -0.299981D+00  0.316175D+01  0.817824D+00
                81            82            83            84            85 
      1   0.316175D+01  0.923460D+00  0.142394D+01 -0.781950D-01  0.162229D+01
      2   0.817824D+00  0.142394D+01  0.178331D+01  0.205074D+00  0.202608D+01
      3   0.421540D+01 -0.781950D-01  0.205074D+00 -0.712434D-01  0.244839D+00
                86            87            88            89            90 
      1   0.202608D+01  0.244839D+00 -0.633994D+00 -0.209119D+00 -0.265121D-01
      2   0.117395D+02  0.820133D+00 -0.209119D+00 -0.133374D+01  0.113535D+01
      3   0.820133D+00  0.111841D+01 -0.265121D-01  0.113535D+01  0.477267D+00
                91            92            93            94            95 
      1  -0.788724D+00 -0.118308D+00  0.921766D+00 -0.393826D+00 -0.417791D-02
      2  -0.118308D+00  0.189615D-01 -0.294616D+00 -0.417791D-02  0.678936D+00
      3   0.921766D+00 -0.294616D+00 -0.123349D+01  0.403011D-02  0.882209D+00
                96            97            98            99           100 
      1   0.403011D-02  0.143322D+01 -0.157769D-01 -0.868654D+00  0.935925D+01
      2   0.882209D+00 -0.157769D-01  0.174853D+01  0.182411D+01 -0.250078D+01
      3  -0.136890D+00 -0.868654D+00  0.182411D+01  0.844616D+01  0.282405D+01
               101           102           103           104           105 
      1  -0.250078D+01  0.282405D+01 -0.672123D+00  0.146361D+01  0.461086D+00
      2   0.195577D+01 -0.833636D+00  0.146361D+01 -0.164485D+01 -0.267538D+00
      3  -0.833636D+00  0.162320D+01  0.461086D+00 -0.267538D+00  0.180453D-02
               106           107           108           109           110 
      1   0.519149D+01 -0.834501D+00  0.136872D+01  0.107919D+01 -0.112602D+01
      2  -0.834501D+00  0.665437D-01 -0.397002D-01 -0.112602D+01 -0.861161D+00
      3   0.136872D+01 -0.397002D-01  0.110038D+01  0.184229D+00 -0.106140D+01
               111           112           113           114           115 
      1   0.184229D+00 -0.170205D+01  0.150796D+01  0.461546D+00 -0.648723D-01
      2  -0.106140D+01  0.150796D+01 -0.827733D+01 -0.298706D+01 -0.694969D-01
      3  -0.597596D+00  0.461546D+00 -0.298706D+01 -0.198695D+01 -0.197720D+00
               116           117           118           119           120 
      1  -0.694969D-01 -0.197720D+00 -0.516426D+00 -0.953626D+00 -0.479143D+00
      2  -0.414148D+01 -0.155597D+01 -0.953626D+00 -0.797154D+00 -0.376943D+00
      3  -0.155597D+01 -0.131679D+01 -0.479143D+00 -0.376943D+00 -0.697331D+00
               121           122           123           124           125 
      1  -0.179440D+01 -0.518324D+00 -0.482316D+00 -0.686153D-01 -0.460427D+00
      2  -0.518324D+00 -0.539471D+01 -0.324550D+01 -0.460427D+00 -0.263945D+01
      3  -0.482316D+00 -0.324550D+01 -0.295593D+01 -0.544554D+00 -0.259982D+01
               126           127           128           129           130 
      1  -0.544554D+00 -0.242305D+01 -0.153778D+01 -0.455507D+01 -0.177321D+01
      2  -0.259982D+01 -0.153778D+01  0.123121D+01  0.251469D+00  0.208499D+01
      3  -0.361820D+01 -0.455507D+01  0.251469D+00  0.202491D+01  0.596863D+00
               131           132           133           134           135 
      1   0.208499D+01  0.596863D+00 -0.479002D+01  0.476050D+00  0.220598D+01
      2   0.676689D+01 -0.820097D+00  0.476050D+00 -0.650378D-01 -0.238811D+01
      3  -0.820097D+00 -0.263246D+01  0.220598D+01 -0.238811D+01 -0.500045D+00
               136           137           138           139           140 
      1   0.706300D+00 -0.222949D+01 -0.407228D+01 -0.332534D+01  0.321974D+01
      2  -0.222949D+01  0.144940D+01  0.898091D-01  0.321974D+01  0.661968D+01
      3  -0.407228D+01  0.898091D-01  0.225298D+01  0.300104D+00  0.924972D+00
               141           142           143           144           145 
      1   0.300104D+00 -0.551981D+01  0.946909D+00  0.320831D+01 -0.606732D+01
      2   0.924972D+00  0.946909D+00  0.396951D+00 -0.251374D+01  0.410634D+01
      3  -0.274646D+01  0.320831D+01 -0.251374D+01  0.278974D+01  0.947101D+00
               146           147           148           149           150 
      1   0.410634D+01  0.947101D+00  0.328903D+01 -0.363100D+01 -0.219495D+00
      2  -0.449111D+01 -0.523294D+00 -0.363100D+01  0.518063D+01  0.870550D+00
      3  -0.523294D+00 -0.917460D+00 -0.219495D+00  0.870550D+00  0.826996D+00
               151           152           153           154           155 
      1   0.107587D+01 -0.366515D+00 -0.892700D+00 -0.446755D+01  0.801225D+00
      2  -0.366515D+00  0.111066D+01  0.119865D+01  0.801225D+00 -0.106296D+01
      3  -0.892700D+00  0.119865D+01  0.387565D+00 -0.315879D+01  0.670243D+00
               156           157           158           159           160 
      1  -0.315879D+01 -0.205267D+00 -0.431576D+00  0.613674D-01 -0.287426D+01
      2   0.670243D+00 -0.431576D+00  0.128266D+00 -0.724122D+00  0.530791D+00
      3  -0.394881D+01  0.613674D-01 -0.724122D+00  0.420854D+00 -0.314297D+01
               161           162           163           164           165 
      1   0.530791D+00 -0.314297D+01  0.297243D+01  0.186756D+01 -0.238100D+01
      2  -0.108228D+01  0.116405D+01  0.186756D+01  0.278895D+01 -0.206957D+01
      3   0.116405D+01 -0.544664D+01 -0.238100D+01 -0.206957D+01  0.301481D+01
               166           167           168           169           170 
      1   0.120109D+01  0.185419D+01 -0.120343D+01 -0.132516D+01 -0.105592D+01
      2   0.185419D+01  0.292293D+01 -0.206815D+01 -0.105592D+01 -0.155452D+01
      3  -0.120343D+01 -0.206815D+01  0.248000D+01  0.126720D+01  0.209014D+01
               171           172           173           174           175 
      1   0.126720D+01  0.516624D+01  0.620088D+00  0.166772D+01  0.772731D+00
      2   0.209014D+01  0.620088D+00  0.103201D+01 -0.283674D+00  0.433790D+00
      3  -0.339455D+01  0.166772D+01 -0.283674D+00  0.281869D+01 -0.999964D-01
               176           177           178           179           180 
      1   0.433790D+00 -0.999964D-01  0.166150D+01  0.486107D-01  0.139748D+01
      2  -0.327516D+00  0.373038D+00  0.486107D-01  0.431983D+00  0.157657D+00
      3   0.373038D+00  0.584306D+00  0.139748D+01  0.157657D+00  0.215834D+01
               181           182           183           184           185 
      1  -0.426937D+00 -0.913121D+00  0.714525D+00 -0.153489D+01 -0.174926D+01
      2  -0.913121D+00 -0.936446D+00  0.159823D+00 -0.174926D+01 -0.857609D+01
      3   0.714525D+00  0.159823D+00 -0.601952D+00  0.422835D+00  0.216493D+01
               186           187           188           189           190 
      1   0.422835D+00  0.235427D+00 -0.124962D+00 -0.380320D+00 -0.372617D+01
      2   0.216493D+01 -0.124962D+00 -0.589531D-02 -0.679982D+00  0.481851D+00
      3  -0.193764D+01 -0.380320D+00 -0.679982D+00  0.402666D+00  0.337403D+01
               191           192           193           194           195 
      1   0.481851D+00  0.337403D+01  0.155205D+01 -0.902843D+00 -0.118180D+01
      2  -0.115654D+01 -0.201519D+00 -0.902843D+00  0.252532D+00  0.969511D+00
      3  -0.201519D+00 -0.412902D+01 -0.118180D+01  0.969511D+00  0.229803D+01
               196           197           198           199           200 
      1   0.265548D+01 -0.230781D+00 -0.305502D+01 -0.141033D+01  0.749201D+00
      2  -0.230781D+00  0.780139D+00  0.708021D+00  0.749201D+00 -0.408434D+00
      3  -0.305502D+01  0.708021D+00  0.557048D+01 -0.117708D+01  0.301456D+00
               201           202           203           204           205 
      1  -0.117708D+01  0.181514D+01 -0.646326D+00  0.561979D+00 -0.283650D+01
      2   0.301456D+00 -0.646326D+00  0.375341D+00 -0.109948D+01  0.233002D-01
      3  -0.166860D+01  0.561979D+00 -0.109948D+01  0.171692D+01 -0.265404D+01
               206           207           208           209           210 
      1   0.233002D-01 -0.265404D+01 -0.721451D+01  0.959393D+00  0.256799D+01
      2  -0.143661D+01  0.130248D+01  0.959393D+00 -0.102380D+01 -0.460015D+00
      3   0.130248D+01 -0.565544D+01  0.256799D+01 -0.460015D+00 -0.189380D+01
               211           212           213           214           215 
      1   0.312815D+01 -0.163620D+01 -0.820665D+00  0.565489D+01 -0.588499D+00
      2  -0.163620D+01  0.324324D+00  0.533647D+00 -0.588499D+00  0.982545D+00
      3  -0.820665D+00  0.533647D+00  0.109621D+01 -0.269733D+01  0.700961D+00
               216           217           218           219           220 
      1  -0.269733D+01 -0.128152D+01 -0.980183D+00  0.200517D+00 -0.331902D+01
      2   0.700961D+00 -0.980183D+00 -0.900333D+00 -0.747288D-01 -0.358663D+01
      3   0.223706D+01  0.200517D+00 -0.747288D-01 -0.244145D+00 -0.522653D+00
               221           222           223           224           225 
      1  -0.358663D+01 -0.522653D+00  0.350683D+00 -0.252842D+00 -0.857384D+00
      2  -0.812813D+01 -0.751187D+00 -0.252842D+00 -0.460167D+00 -0.712145D+00
      3  -0.751187D+00 -0.113296D+01 -0.857384D+00 -0.712145D+00 -0.485159D+00
               226           227           228           229           230 
      1   0.287254D+01  0.234288D+01 -0.107368D+01  0.199323D+01  0.153924D+01
      2   0.234288D+01  0.271372D+01 -0.706188D+00  0.153924D+01  0.431761D+01
      3  -0.107368D+01 -0.706188D+00  0.116497D+01 -0.816883D+00 -0.116400D+01
               231           232           233           234 
      1  -0.816883D+00 -0.204432D+01 -0.128359D+01  0.156445D+01
      2  -0.116400D+01 -0.128359D+01 -0.344499D+01  0.127183D+01
      3   0.848100D+00  0.156445D+01  0.127183D+01 -0.192893D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.195803D+01 -0.152453D+01  0.289016D+01  0.852607D+00 -0.308286D+01
      2  -0.643126D+01  0.678599D+01 -0.502632D+01  0.587806D+01  0.484123D+01
      3   0.805386D+01 -0.726978D+01 -0.679502D+01 -0.183833D+01  0.547312D+01
                 6             7             8             9            10 
      1  -0.137054D+01  0.341654D+01  0.927992D+01  0.253015D+01 -0.157313D+01
      2  -0.424227D+00 -0.994779D+01 -0.606782D+01 -0.362153D+00  0.195041D+01
      3  -0.169732D+01 -0.966881D+01 -0.260053D+01 -0.281341D+01 -0.608431D+00
                11            12            13            14            15 
      1  -0.314854D+01 -0.408604D+01 -0.289911D+01 -0.109229D+02 -0.376493D+01
      2  -0.201054D+01  0.290421D+00 -0.288611D+01  0.208724D+01  0.629578D+00
      3   0.698184D+01  0.424840D+01  0.110820D+02 -0.496961D+01 -0.303843D+00
                16            17            18            19            20 
      1  -0.504528D+01  0.538818D+01  0.147717D+02 -0.219477D+01  0.195387D+01
      2  -0.445633D+01  0.687333D+00 -0.517489D+01  0.202102D+01  0.656146D+01
      3   0.574596D+01  0.270972D+00  0.312262D+01  0.405823D+01 -0.214198D+01
                21            22            23            24            25 
      1  -0.629649D+01 -0.153402D+01 -0.902366D+01  0.715602D+01 -0.867759D+01
      2  -0.545319D+01  0.250643D+01 -0.632805D+01  0.771042D+01 -0.136837D+02
      3  -0.485100D+01  0.107300D+02 -0.173207D+02  0.746911D+01  0.977347D+00
                26            27            28            29            30 
      1   0.135295D+02  0.233347D+01 -0.851115D+01 -0.422603D+00  0.544079D+01
      2   0.740152D+01 -0.200673D+01 -0.798802D+01  0.399362D+01  0.678914D+01
      3   0.261995D+01 -0.134302D+00  0.834582D+01 -0.132552D+02  0.403965D+01
                31            32            33            34            35 
      1  -0.323375D+01  0.108223D+02 -0.821035D+01  0.184298D+01 -0.395501D+00
      2  -0.201114D+01  0.145346D+02 -0.778218D+01 -0.125038D+01 -0.414222D+01
      3  -0.720588D+00  0.466152D+01 -0.119026D+02  0.867675D+01 -0.161380D+02
                36            37            38            39            40 
      1   0.294264D+01 -0.737184D+00 -0.153821D+01  0.251711D+01 -0.424054D+01
      2  -0.247420D+01  0.105050D+02 -0.727030D+01 -0.137732D+01 -0.288967D+01
      3   0.206638D+01 -0.191861D+01 -0.734798D+00  0.145336D+01  0.811968D+01
                41            42            43            44            45 
      1   0.674824D+01 -0.835432D+01  0.617677D+01 -0.398543D+01 -0.219122D+01
      2   0.338504D+01 -0.171288D+01 -0.151899D+02  0.460409D+01  0.359564D+01
      3  -0.441592D+01 -0.190882D+01  0.196233D+01  0.575081D+00 -0.210249D+01
                46            47            48            49            50 
      1   0.338164D+01 -0.338179D+00 -0.137194D+01 -0.174638D+01 -0.338330D+01
      2  -0.125908D+02  0.120585D+01  0.853237D+01  0.297534D+01 -0.890197D+00
      3   0.392594D+01 -0.100379D+02 -0.187146D+01 -0.105893D+01 -0.129328D+02
                51            52            53            54            55 
      1  -0.166962D+01 -0.364915D+01  0.749657D+01  0.489497D+00  0.343330D+01
      2  -0.337108D+01  0.369239D+01 -0.697706D+01  0.355141D+01  0.241760D+01
      3  -0.142012D+01 -0.486078D+01  0.875857D+00  0.706652D+01 -0.266070D+01
                56            57            58            59            60 
      1   0.144350D+01  0.470170D+01  0.204403D+01  0.382337D+01 -0.461617D+01
      2   0.228887D+01  0.369591D+01  0.143986D+01  0.183344D+01 -0.120300D+01
      3  -0.412349D+01 -0.382760D+01  0.301660D+01  0.124775D+02 -0.169337D+01
                61            62            63            64            65 
      1   0.288577D+01  0.206648D+01 -0.104037D+02 -0.188146D+01  0.350445D+01
      2  -0.164691D+01 -0.248286D+01 -0.525012D+01 -0.182605D+01 -0.516916D+01
      3  -0.513613D+01 -0.353913D+01 -0.301186D+01  0.935507D+00 -0.685634D+01
                66            67            68            69            70 
      1  -0.956608D+01  0.646780D+01 -0.767325D+01  0.370365D+01 -0.687959D+01
      2   0.112738D+02 -0.274296D+01 -0.680044D+01  0.853928D+01  0.415276D+01
      3   0.738109D+01 -0.127132D+01 -0.967134D+00  0.310459D+01  0.522359D+01
                71            72            73            74            75 
      1   0.679552D+01  0.793168D+01 -0.285020D+01  0.613755D+00 -0.285400D+01
      2   0.673716D+01  0.644298D+01  0.257179D+01  0.141515D+01  0.634372D+01
      3   0.143582D+01  0.158342D+01  0.376029D+01 -0.400299D+01  0.222218D+01
                76            77            78            79            80 
      1   0.201230D+00 -0.531815D-01 -0.218030D+00 -0.306221D+01  0.135563D+01
      2  -0.545331D+00  0.449824D+00 -0.946074D+00  0.276737D+01  0.201633D+01
      3  -0.274381D+00  0.224481D+01 -0.995474D+00  0.459939D+01 -0.259310D+01
                81            82            83            84            85 
      1  -0.434835D+01  0.163504D+01  0.185144D+01  0.639679D-01  0.117356D+01
      2   0.902421D+01 -0.941092D+00 -0.103667D+01  0.146686D+01 -0.178765D+01
      3   0.241950D+01  0.205842D+01  0.568881D-02 -0.633032D+00  0.592732D+01
                86            87            88            89            90 
      1   0.948582D+01 -0.502291D+01  0.195599D+00 -0.205634D+01  0.175698D+00
      2  -0.136958D+01  0.889618D+00 -0.128034D+00  0.419567D+00  0.139307D+00
      3  -0.274283D+01  0.369403D+00 -0.196615D+01  0.598806D+00 -0.591729D+00
                91            92            93            94            95 
      1  -0.239529D+01 -0.501930D+00  0.282550D+01 -0.637754D+00 -0.136657D+01
      2   0.140224D+01  0.545398D+00 -0.534642D+00  0.120477D+01  0.589987D+00
      3  -0.229528D+01 -0.221215D+01  0.165831D+01 -0.634156D+00  0.995561D+00
                96            97            98            99           100 
      1   0.122338D+01  0.247040D+01  0.196455D+01 -0.176110D+02  0.733503D+01
      2  -0.477555D+00 -0.560540D+01  0.729460D+00  0.540557D+01  0.102639D+02
      3  -0.522265D+00  0.391152D+01 -0.729209D+00 -0.217743D+01 -0.107170D+02
               101           102           103           104           105 
      1  -0.108828D+01  0.361573D+01  0.236681D+00  0.286094D+00 -0.160698D+00
      2  -0.487281D+01  0.867372D+01  0.123973D+01 -0.140285D+01  0.460176D+00
      3  -0.361138D+01 -0.346256D+01 -0.102334D+01  0.112333D+01  0.505038D-01
               106           107           108           109           110 
      1   0.321886D+01  0.785135D+00  0.163480D+01  0.207483D+01 -0.184202D+01
      2   0.198000D+01  0.216987D+01  0.518496D+01 -0.202731D+00 -0.259551D+01
      3  -0.869902D+01  0.831265D+00 -0.172394D+01  0.251635D+01  0.333367D+01
               111           112           113           114           115 
      1  -0.194692D+01  0.156418D+01 -0.257283D+01 -0.588503D+01 -0.212679D+01
      2  -0.857685D+00 -0.136051D+01 -0.693578D+01 -0.411037D+01 -0.924776D+00
      3   0.237693D+01  0.227517D+01  0.190703D+02  0.752046D+01  0.125077D+01
               116           117           118           119           120 
      1   0.151985D+01 -0.338651D+01  0.778277D+00  0.603071D+00 -0.151331D+00
      2  -0.484558D+01 -0.242441D+01 -0.513787D+00 -0.542708D+00  0.912262D+00
      3   0.119847D+02  0.392005D+01  0.676772D-01 -0.829986D+00 -0.236686D+00
               121           122           123           124           125 
      1  -0.339331D+00  0.578323D+01 -0.150054D+01  0.187404D-01  0.353164D+01
      2  -0.319330D+01 -0.267186D+00  0.237487D+00 -0.269749D+01 -0.542837D+00
      3   0.517939D+01  0.145251D+00  0.229696D+00  0.133842D+01  0.138477D+00
               126           127           128           129           130 
      1  -0.102460D+01 -0.890933D+01  0.224233D+01  0.269974D+01  0.578873D+01
      2  -0.437572D+00  0.131889D+02  0.129867D+01  0.980614D+01  0.209702D+01
      3   0.290210D+00  0.220810D+01  0.126695D+01  0.659081D+01  0.586294D+01
               131           132           133           134           135 
      1   0.144738D+02 -0.855771D+01  0.313429D+01 -0.594708D+00 -0.626080D+01
      2  -0.229426D+01  0.224601D+01  0.529190D+01  0.279655D+01 -0.361310D+01
      3   0.686080D+01 -0.106562D+01  0.671651D+01 -0.120165D+00 -0.545368D+01
               136           137           138           139           140 
      1  -0.210294D+01 -0.152578D+00  0.273540D+01 -0.116264D+01 -0.155400D+01
      2   0.115008D+02 -0.193541D+01 -0.816398D+01 -0.281167D+01 -0.187877D+01
      3  -0.804019D+01  0.547789D+01  0.344867D+01  0.144492D+02  0.197620D+02
               141           142           143           144           145 
      1  -0.517535D+01  0.395851D+01 -0.887101D+00  0.409033D+01 -0.162070D+01
      2   0.906793D+01 -0.181475D+02  0.898126D+01 -0.106878D+02  0.723607D-01
      3   0.329213D+01  0.380823D+01  0.287305D+01 -0.117224D+02 -0.741355D+01
               146           147           148           149           150 
      1   0.208212D+00  0.325218D+01  0.369717D+00 -0.133720D+01 -0.419608D+01
      2   0.504809D+00  0.353395D+01 -0.501590D+00 -0.473729D+00 -0.241737D+01
      3  -0.127669D+01  0.929838D+00  0.492601D+01  0.253734D+00  0.200399D+00
               151           152           153           154           155 
      1   0.163659D+01 -0.589475D+00 -0.632607D+00  0.298799D+01  0.307261D+01
      2  -0.441458D+00 -0.115661D+01 -0.550738D+00 -0.986606D+01  0.216738D+00
      3   0.173825D+01  0.111073D+01 -0.188611D+00 -0.588299D+01 -0.191964D+01
               156           157           158           159           160 
      1   0.413010D+01  0.101482D+01  0.131227D+01 -0.592547D+00  0.325712D+01
      2  -0.230464D+01 -0.477106D+00 -0.636342D+00 -0.705401D+00 -0.668449D+01
      3  -0.313940D+01  0.991518D+00 -0.457705D-01 -0.384291D+00 -0.330713D+01
               161           162           163           164           165 
      1   0.261159D+01  0.351385D+01 -0.160244D+01 -0.493702D+01 -0.581531D+00
      2  -0.204704D+00 -0.215065D+01  0.959852D+01  0.470641D+01 -0.362384D+01
      3  -0.119038D+01 -0.301099D+01  0.585531D+01  0.149561D+01 -0.323141D+01
               166           167           168           169           170 
      1  -0.220153D+01 -0.389100D+01 -0.158348D+01  0.378134D+00  0.253677D+01
      2   0.454213D+01  0.480179D+01 -0.304382D+01 -0.471152D+01 -0.316109D+01
      3   0.460490D+01  0.198997D+01 -0.227261D+01 -0.276568D+01 -0.539520D+00
               171           172           173           174           175 
      1   0.432157D-01  0.410092D+01  0.380395D+01  0.231950D+01  0.211281D+01
      2   0.289869D+01 -0.178007D+02 -0.174726D+01 -0.343042D+01 -0.207489D+01
      3   0.225298D+01 -0.714593D+01 -0.212370D+01 -0.241714D+01  0.585554D+00
               176           177           178           179           180 
      1   0.909414D+00  0.260623D+00  0.216660D+01  0.230462D+01  0.231818D+01
      2  -0.157776D+01 -0.512437D+00 -0.667014D+01 -0.725129D+00 -0.382177D+01
      3  -0.928004D+00  0.937011D-02 -0.248558D+01 -0.753254D+00 -0.149569D+01
               181           182           183           184           185 
      1  -0.937823D+00 -0.178109D+01 -0.694777D+00 -0.307722D+01 -0.158360D+02
      2  -0.751007D+00  0.828113D+00  0.692971D+00  0.303475D+01 -0.238921D+00
      3  -0.115801D+01 -0.119278D+01  0.103025D+00  0.336989D+01 -0.875286D+01
               186           187           188           189           190 
      1  -0.160143D+01 -0.451400D+00  0.686538D+00 -0.123395D+01  0.500671D+01
      2   0.206992D+01 -0.912397D+00  0.274128D+00  0.388026D+00  0.412189D+01
      3   0.226290D+01 -0.731126D-01 -0.284191D+00 -0.170996D+00  0.364386D+01
               191           192           193           194           195 
      1  -0.409848D+01 -0.493387D+01 -0.276848D+01  0.222479D+01  0.307383D+01
      2  -0.109511D+01  0.871698D+00 -0.250056D+01  0.274013D-02 -0.127296D+01
      3  -0.365108D+01 -0.334035D+01 -0.145313D+01  0.138793D+01  0.201588D+01
               196           197           198           199           200 
      1  -0.399991D+01  0.465215D+01  0.714691D+01 -0.161109D+01  0.764937D+00
      2  -0.515306D+01 -0.211130D-01 -0.961928D+00  0.295913D+01 -0.231143D-01
      3  -0.296994D+01  0.232292D+01  0.366854D+01  0.283907D+01 -0.198627D+01
               201           202           203           204           205 
      1  -0.100624D+01  0.397576D+00 -0.162525D+01  0.140315D+01 -0.117113D+01
      2   0.499375D+01  0.847531D+00  0.337823D+01 -0.651290D+01  0.249664D+01
      3   0.150752D+01 -0.898125D+00  0.223683D+01 -0.386133D+01  0.107809D+01
               206           207           208           209           210 
      1   0.466981D+01 -0.515709D+01  0.174087D+01 -0.821657D+00 -0.987871D+00
      2  -0.540399D+01  0.176269D+02 -0.934325D+01  0.168347D+01  0.976801D+01
      3  -0.604509D+01  0.632676D+01  0.798492D+01 -0.653669D+01 -0.297762D+01
               211           212           213           214           215 
      1  -0.356354D+00  0.800816D+00 -0.309412D+00 -0.169338D+01  0.168326D+01
      2   0.301963D+01 -0.207228D+01 -0.455166D+01  0.746341D+01 -0.270710D+01
      3  -0.447049D+01  0.227383D+01  0.195426D+01 -0.436541D+01  0.476826D+01
               216           217           218           219           220 
      1   0.901693D+00  0.533682D+00  0.350913D+00 -0.415157D+00  0.348110D+00
      2  -0.874681D+01 -0.666052D+00  0.115984D-02  0.194342D+01  0.260531D+00
      3   0.398433D+01 -0.271245D+01 -0.373515D+01 -0.590175D+00 -0.431789D+01
               221           222           223           224           225 
      1   0.267356D+01 -0.395252D+01 -0.421325D+00  0.588160D+00 -0.387189D+00
      2   0.106701D+01  0.410456D+01  0.146959D+01  0.119569D+01  0.114086D+01
      3  -0.233368D+02 -0.172451D+01 -0.107623D+01 -0.162750D+01 -0.123337D+01
               226           227           228           229           230 
      1   0.196115D+01  0.178209D+01 -0.229963D+01  0.148176D+01  0.241795D+01
      2  -0.350923D+01 -0.317670D+01  0.485113D+01 -0.326329D+01 -0.380500D+01
      3  -0.183754D+01 -0.246918D+01  0.853660D+00  0.260375D+01 -0.840593D+01
               231           232           233           234 
      1  -0.374621D+01 -0.144186D+01 -0.353185D+01  0.237319D+01
      2   0.308893D+01  0.317391D+01  0.428703D+01 -0.687826D+01
      3   0.141601D+01  0.346809D+00  0.575420D+01 -0.870398D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.820849D+01 -0.930673D+01 -0.613885D+01 -0.244335D+01 -0.670261D+00
      2   0.723210D+01  0.619320D+01  0.848877D+01  0.705343D+00  0.225126D+01
      3   0.976389D+00  0.311353D+01 -0.234991D+01  0.173801D+01 -0.158100D+01
      4  -0.731441D+01 -0.184738D+02  0.235935D+01 -0.284521D+01 -0.231373D+02
      5  -0.922897D+01  0.183004D+00 -0.168356D+02  0.711741D+01  0.405838D+01
      6  -0.144090D+01  0.776091D+01 -0.223492D+01  0.448474D+01  0.430064D+01
                 6             7             8             9            10 
      1   0.752858D+01 -0.795696D+01  0.750506D+01 -0.134892D+02 -0.460251D+01
      2  -0.242385D+01  0.115029D+02  0.324394D+00  0.113426D+02  0.436294D+01
      3  -0.510473D+01 -0.354595D+01 -0.782945D+01  0.214655D+01  0.239577D+00
      4   0.707515D+01  0.800327D+01  0.171483D+02 -0.113167D+02 -0.960717D+00
      5   0.850038D+00 -0.210148D+02 -0.531305D+01 -0.854328D+01  0.234085D+01
      6  -0.193589D+01 -0.590354D+01 -0.640929D+01 -0.381839D-01  0.696867D+01
                11            12            13            14            15 
      1   0.863901D+01 -0.166959D+01  0.122745D+02  0.215356D+02 -0.241192D+01
      2  -0.129341D+02 -0.336205D+00 -0.150407D+02 -0.436827D+02  0.716171D+00
      3   0.429510D+01  0.200579D+01  0.276622D+01  0.221471D+02  0.169575D+01
      4  -0.256263D+01  0.198691D+01  0.166799D+01 -0.133568D+02 -0.657687D+00
      5   0.141717D+01  0.128868D+01  0.120135D+01 -0.340293D+01  0.736950D+00
      6  -0.160068D+01  0.694020D+01 -0.333211D+01 -0.310127D+01  0.398815D+01
                16            17            18            19            20 
      1  -0.182290D+01 -0.400128D+01  0.150509D+02 -0.184957D+02  0.916418D+01
      2  -0.316982D+01  0.112024D+02  0.789435D+01 -0.635788D+01  0.117197D+02
      3   0.499272D+01 -0.720109D+01 -0.229453D+02  0.248536D+02 -0.208839D+02
      4   0.209370D+01 -0.207006D+01  0.374231D+01  0.559654D+02 -0.388520D+02
      5   0.396999D+01  0.847413D+00  0.307328D+01  0.236626D+02 -0.708392D+01
      6   0.576165D+01  0.128493D+01 -0.173737D+02 -0.103954D+02  0.113234D+01
                21            22            23            24            25 
      1   0.132741D+02  0.225773D+02 -0.176145D+02 -0.111565D+02 -0.172186D+01
      2  -0.938350D+01 -0.284510D+01 -0.805771D+01  0.156888D+02 -0.844293D+00
      3  -0.389062D+01 -0.197322D+02  0.256722D+02 -0.453230D+01  0.256615D+01
      4  -0.739199D+01 -0.481152D+02  0.623812D+02  0.176398D+00 -0.376261D+01
      5  -0.104462D+02 -0.193304D+02  0.462748D+01  0.164470D+02  0.974349D+01
      6   0.107480D+02  0.707568D+01  0.324779D+01 -0.656837D+01  0.632713D+00
                26            27            28            29            30 
      1  -0.293197D+01 -0.423510D+01  0.681297D+01 -0.110353D+02 -0.231704D+02
      2   0.594137D+01 -0.823419D+01  0.495418D+01 -0.811225D+01  0.158058D+02
      3  -0.300940D+01  0.124693D+02 -0.117672D+02  0.191476D+02  0.736464D+01
      4  -0.333823D+01  0.870366D+01 -0.366019D+02  0.449220D+02  0.205066D+02
      5   0.137876D+01 -0.419593D+01 -0.431949D+02  0.176935D+02  0.181923D+02
      6   0.706233D+01 -0.148369D+01  0.211686D+02 -0.122870D+02 -0.970337D+01
                31            32            33            34            35 
      1  -0.148214D+02  0.200096D+02  0.175728D+02 -0.367131D+02  0.249169D+02
      2  -0.949302D+01  0.684014D+01 -0.221517D+02  0.243966D+02 -0.298386D+02
      3   0.243145D+02 -0.268497D+02  0.457888D+01  0.123165D+02  0.492171D+01
      4   0.531997D+02 -0.521780D+02  0.895268D+01  0.161286D+02  0.112318D+02
      5   0.893197D+01  0.975362D+01 -0.124415D+02  0.250373D+02 -0.186412D+02
      6  -0.435796D+01 -0.208527D+02  0.777845D+01 -0.145861D+02  0.141787D+02
                36            37            38            39            40 
      1   0.350141D+01  0.727602D+01 -0.601330D+01  0.196943D+01 -0.103028D+02
      2  -0.483713D+01  0.388563D+01 -0.118478D+00 -0.427248D+01 -0.383878D+00
      3   0.133571D+01 -0.111616D+02  0.613178D+01  0.230305D+01  0.106867D+02
      4  -0.176554D+02 -0.317661D+02  0.119572D+02  0.429376D+01  0.537968D+01
      5  -0.115925D+02 -0.474464D+01  0.151463D+00  0.958003D+00  0.353451D+01
      6  -0.126219D+01  0.419355D+01 -0.683800D+01 -0.412493D+01 -0.789021D+01
                41            42            43            44            45 
      1   0.245789D+02  0.773792D+01  0.146554D+02  0.528064D+01  0.444726D+01
      2  -0.666825D+01 -0.334684D+01 -0.929739D+01 -0.748043D+01 -0.896068D+00
      3  -0.179107D+02 -0.439109D+01 -0.535806D+01  0.219979D+01 -0.355119D+01
      4  -0.957674D+01 -0.201372D+01  0.124016D+02 -0.551750D+01 -0.597715D+01
      5  -0.576924D+01  0.227694D+01 -0.576473D+01  0.339857D+01 -0.194808D+01
      6  -0.369559D+01 -0.193549D+02 -0.153935D+01 -0.161433D+02 -0.154437D+01
                46            47            48            49            50 
      1  -0.127096D+02 -0.511514D+01 -0.126710D+02 -0.239194D+01  0.132733D+00
      2   0.228339D+00  0.316057D+01  0.107402D+02  0.646452D+01  0.897162D+00
      3   0.124813D+02  0.195457D+01  0.193080D+01 -0.407258D+01 -0.102990D+01
      4   0.310568D+01  0.350783D+01 -0.842219D+01  0.112948D+01  0.197886D+02
      5  -0.133447D+02 -0.152886D+01  0.837586D+01 -0.716604D+00 -0.164969D+01
      6  -0.550403D+01  0.376793D-01  0.330800D+01  0.893270D+00 -0.719583D+01
                51            52            53            54            55 
      1  -0.635685D+01 -0.168880D+02 -0.406554D+01  0.858709D+01 -0.429769D+01
      2  -0.289649D+01  0.127802D+02  0.149438D+01 -0.642304D+01 -0.752870D+01
      3   0.925334D+01  0.410776D+01  0.257117D+01 -0.216405D+01  0.118264D+02
      4  -0.157380D+01 -0.182096D+02  0.801733D-01  0.196772D+01  0.179683D+02
      5  -0.407197D+01  0.106586D+02 -0.441658D+01  0.187391D+01  0.455751D+01
      6   0.282268D+01  0.375820D+01 -0.305933D+00  0.273957D+00 -0.509567D+01
                56            57            58            59            60 
      1   0.169585D+01  0.363226D+01 -0.203258D+01 -0.135897D+02  0.809210D+00
      2   0.126079D+02 -0.483178D+01  0.101468D+02  0.697060D+01  0.546428D+00
      3  -0.143038D+02  0.119952D+01 -0.811418D+01  0.661908D+01 -0.135564D+01
      4  -0.218786D+02 -0.498698D+01 -0.205814D+02  0.113907D+02  0.598696D+01
      5  -0.367449D+01 -0.119394D+01 -0.619395D+01  0.637212D+01  0.299341D+01
      6  -0.141001D+01 -0.746205D+01  0.948133D+00  0.339011D+01 -0.789289D+00
                61            62            63            64            65 
      1   0.316742D+01  0.354075D+01  0.243319D+01  0.659739D+01  0.960975D+01
      2  -0.218660D+01 -0.920738D+01  0.471923D+01  0.599016D+01 -0.688101D+01
      3  -0.980815D+00  0.566663D+01 -0.715242D+01 -0.125876D+02 -0.272875D+01
      4  -0.199294D+01  0.784738D+01 -0.264129D+01 -0.689913D-01 -0.517626D+01
      5   0.100478D+01 -0.272840D-01 -0.948204D+00 -0.503080D+01  0.762148D+01
      6  -0.501803D+01  0.304682D+01  0.104833D+02  0.122087D+02  0.147081D+02
                66            67            68            69            70 
      1  -0.356933D+01  0.145427D+02 -0.942675D+01 -0.189301D+01  0.414900D+00
      2   0.142981D+02 -0.380331D+01  0.383507D+01 -0.642745D+01  0.112306D+02
      3  -0.107288D+02 -0.107394D+02  0.559168D+01  0.832046D+01 -0.116455D+02
      4   0.745181D+01 -0.332469D+01 -0.408084D+01  0.365229D+01  0.732757D-01
      5  -0.171108D+02  0.208963D+01  0.869415D+01 -0.954450D+01 -0.150190D+02
      6  -0.184184D+01  0.131590D+02 -0.113207D+02 -0.314897D+00  0.198201D+01
                71            72            73            74            75 
      1  -0.551729D+01 -0.591197D+01  0.236927D+02  0.236138D+01  0.108771D+02
      2   0.975054D+00 -0.191176D+01 -0.178154D+02 -0.195572D+01 -0.115415D+02
      3   0.454224D+01  0.782373D+01 -0.587739D+01 -0.405665D+00  0.664422D+00
      4   0.604851D+01  0.268640D+01  0.830312D+01  0.950384D+01  0.540981D+01
      5  -0.265667D+01 -0.488215D+01  0.199434D+02  0.331446D+01  0.181145D+02
      6  -0.308780D+01  0.240425D+01  0.240302D+01  0.143324D+01  0.343061D+01
                76            77            78            79            80 
      1  -0.486130D+01  0.103642D+01 -0.255027D+01  0.146038D+02 -0.404554D+00
      2   0.435581D+01 -0.425257D+00  0.332260D+01 -0.152734D+02 -0.224842D-01
      3   0.505496D+00 -0.611159D+00 -0.772331D+00  0.669534D+00  0.427038D+00
      4   0.577447D+01  0.743056D+00  0.244732D+01  0.686590D+01  0.388933D+01
      5  -0.320480D+01  0.350890D+01 -0.241271D+01  0.225187D+02  0.502528D+01
      6   0.214536D+01 -0.177885D+00  0.380942D+01  0.382689D+01  0.498718D+01
                81            82            83            84            85 
      1   0.719772D+01 -0.388649D+00 -0.262349D+01 -0.344247D+00 -0.355461D+01
      2  -0.159604D+02  0.647345D+01  0.843203D+01  0.959066D+00  0.971290D+01
      3   0.876269D+01 -0.608480D+01 -0.580854D+01 -0.614820D+00 -0.615829D+01
      4   0.794991D+01  0.672678D+01  0.135974D+02  0.823768D+00  0.117439D+02
      5   0.256233D+02  0.148748D+01  0.225119D+01  0.208361D+01  0.209979D+01
      6   0.509734D+01  0.907693D+00  0.253715D+01  0.723529D+00  0.319607D+01
                86            87            88            89            90 
      1  -0.391803D+02 -0.360672D+01  0.199343D+00  0.295855D+01 -0.539991D+01
      2   0.722265D+02  0.326335D+01 -0.740853D+00 -0.799363D+01  0.419808D+01
      3  -0.330463D+02  0.343369D+00  0.541510D+00  0.503508D+01  0.120183D+01
      4   0.218356D+02  0.202912D+01 -0.157873D+01 -0.235013D+01  0.134398D+01
      5   0.294228D+01  0.192432D+01  0.103607D+01  0.190877D+01 -0.280060D+00
      6   0.141547D+02  0.955479D+01  0.359890D+00  0.799991D+01  0.135052D+01
                91            92            93            94            95 
      1  -0.836944D+00  0.104084D+01  0.343590D+01 -0.167607D+01 -0.548192D+01
      2  -0.343138D+01 -0.277890D+00 -0.440112D-01  0.859504D+00  0.551093D+01
      3   0.426832D+01 -0.762951D+00 -0.339189D+01  0.816563D+00 -0.290098D-01
      4  -0.199693D+01  0.327269D+01  0.299552D+01  0.693540D+00 -0.203168D+00
      5  -0.209307D+01  0.920904D+00  0.621698D+01 -0.330605D+00 -0.162994D+00
      6   0.223726D+01 -0.256177D+01 -0.484374D+01 -0.103167D+01  0.319256D+01
                96            97            98            99           100 
      1  -0.137907D+01  0.423020D+01 -0.852021D+01 -0.251270D+02  0.613886D+02
      2   0.321515D+01  0.903537D+00  0.347840D+01 -0.126744D+02 -0.283130D+02
      3  -0.183607D+01 -0.513373D+01  0.504181D+01  0.378015D+02 -0.330756D+02
      4  -0.232754D+00  0.374888D+01  0.222242D+00 -0.495132D-01 -0.323945D+02
      5  -0.636543D+00  0.554439D+01  0.712445D+00  0.219075D+01  0.173459D+02
      6   0.465538D+01 -0.248681D+01  0.127289D+02  0.287955D+02 -0.102705D+02
               101           102           103           104           105 
      1  -0.106608D+02  0.146713D+02 -0.726568D+00  0.430033D+01  0.893227D+00
      2   0.118946D+01 -0.738029D+01 -0.369782D+01  0.296059D+01 -0.274889D+00
      3   0.947136D+01 -0.729101D+01  0.442439D+01 -0.726092D+01 -0.618338D+00
      4   0.184708D+02 -0.972275D+01  0.124650D+02 -0.984018D+01 -0.434564D+00
      5  -0.581102D+01  0.118397D+02  0.327535D+01 -0.137240D+01 -0.269744D+00
      6   0.408823D+01 -0.624270D+01 -0.533495D+00  0.171105D+01  0.166646D+01
               106           107           108           109           110 
      1   0.314080D+02 -0.770659D+01  0.764900D+01  0.403618D+01 -0.980953D+01
      2  -0.170973D+02  0.348996D+01 -0.631739D+01  0.172464D+01  0.687106D+01
      3  -0.143107D+02  0.421663D+01 -0.133162D+01 -0.576082D+01  0.293847D+01
      4  -0.139334D+02  0.348159D+01 -0.333706D+01 -0.503769D+01  0.425725D+01
      5   0.906464D+01 -0.299499D-01  0.933238D+01  0.168996D+01 -0.261966D+01
      6  -0.378264D+01  0.153530D+01 -0.339968D+01 -0.111619D+00  0.616783D+01
               111           112           113           114           115 
      1  -0.259023D+01 -0.357389D+01 -0.247027D+02 -0.101342D+02  0.647398D+00
      2   0.242008D+01 -0.183426D+01  0.416435D+02  0.121757D+02 -0.255614D+01
      3   0.170147D+00  0.540815D+01 -0.169408D+02 -0.204147D+01  0.190874D+01
      4  -0.246262D+01  0.136010D+02 -0.312144D+02 -0.112026D+02  0.485463D+00
      5  -0.104219D+01  0.389108D+01 -0.135027D+02 -0.892292D+01  0.520225D+00
      6   0.363221D+01 -0.383712D+01  0.215419D+02  0.135221D+02  0.517651D+00
               116           117           118           119           120 
      1  -0.159756D+02 -0.874801D+01 -0.476093D-01 -0.135592D+01 -0.153453D+01
      2   0.209882D+02  0.684232D+01  0.169852D+00  0.666741D+00  0.203057D+00
      3  -0.501258D+01  0.190569D+01 -0.122242D+00  0.689177D+00  0.133147D+01
      4  -0.118085D+02 -0.409487D+01  0.236603D+01  0.727780D+01  0.344983D+01
      5  -0.553624D+01 -0.410897D+01  0.813987D+00  0.448435D+01  0.553189D+01
      6   0.113823D+02  0.916250D+01  0.468931D+01  0.185650D+01  0.272342D+01
               121           122           123           124           125 
      1  -0.293091D+01 -0.179842D+02 -0.128585D+02 -0.437196D+00 -0.999802D+01
      2   0.155158D+01  0.154865D+02  0.509317D+01  0.439473D+00  0.271648D+01
      3   0.137933D+01  0.249774D+01  0.776533D+01 -0.227702D-02  0.728154D+01
      4   0.671072D+01  0.494218D+01  0.271137D+01  0.111731D+01  0.210002D+01
      5   0.371387D+01  0.139131D+01  0.195907D+01  0.348536D+01  0.131599D+01
      6   0.206205D+01  0.219604D+02  0.187946D+02  0.237820D+01  0.163134D+02
               126           127           128           129           130 
      1  -0.145597D+02  0.116038D+02  0.370605D+01  0.669845D+01  0.593113D+01
      2  -0.124329D+01  0.106277D+02 -0.655749D+01 -0.124005D+02 -0.124814D+02
      3   0.158030D+02 -0.222315D+02  0.285145D+01  0.570208D+01  0.655026D+01
      4   0.304649D+01  0.738493D+01  0.674615D+00  0.382003D+01 -0.128480D+01
      5   0.116228D+01  0.577770D+01 -0.476088D+01 -0.204556D+02 -0.633100D+01
      6   0.157374D+02 -0.454187D+00  0.363580D+01  0.259420D+01  0.556785D+01
               131           132           133           134           135 
      1   0.908368D+01  0.229812D+01  0.629105D+01  0.524323D+01 -0.119474D+02
      2  -0.238535D+02  0.134852D+02 -0.116465D+02  0.538331D+01  0.122571D+02
      3   0.147698D+02 -0.157834D+02  0.535549D+01 -0.106265D+02 -0.309761D+00
      4  -0.176397D+02  0.190740D+01  0.558656D+01  0.687887D-01  0.151669D+01
      5   0.432213D+01  0.959369D+01 -0.204123D+02  0.564983D+01  0.107844D+02
      6   0.209680D+02  0.930167D+00  0.990250D+00  0.445598D+01 -0.120854D+02
               136           137           138           139           140 
      1  -0.112460D+01  0.155734D+02  0.239609D+02  0.219182D+02  0.886662D+00
      2   0.289462D+01 -0.118712D+02 -0.116226D+02 -0.200017D+02 -0.145156D+02
      3  -0.177002D+01 -0.370212D+01 -0.123383D+02 -0.191656D+01  0.136290D+02
      4   0.144159D+02 -0.587894D+01  0.223695D+01 -0.116445D+02 -0.353656D+02
      5   0.251827D+02 -0.105941D+01 -0.137504D+02 -0.276576D+01 -0.380426D+01
      6   0.392180D+01 -0.920592D+00 -0.156465D+01 -0.183407D+01 -0.592503D+01
               141           142           143           144           145 
      1  -0.104910D+01  0.290758D+02 -0.212480D+01 -0.184093D+02  0.155904D+02
      2  -0.186969D+01 -0.140397D+02 -0.214124D+01  0.159898D+02  0.312961D+01
      3   0.291878D+01 -0.150361D+02  0.426604D+01  0.241951D+01 -0.187200D+02
      4  -0.331535D+01  0.290351D+01 -0.353850D+01  0.118131D+02 -0.301521D+02
      5   0.144940D+02 -0.202232D+02  0.134463D+02 -0.150100D+02 -0.399218D+01
      6   0.196796D+01 -0.177205D+01  0.263988D+01 -0.126615D+01  0.194028D+01
               146           147           148           149           150 
      1  -0.449767D+01 -0.181794D+01 -0.152832D+01 -0.463515D+01 -0.540427D+00
      2  -0.114977D+02  0.123344D+00 -0.113381D+02  0.223314D+02  0.282861D+01
      3   0.159954D+02  0.169459D+01  0.128664D+02 -0.176963D+02 -0.228818D+01
      4   0.275852D+02  0.376442D+01  0.231319D+02 -0.259656D+02 -0.331685D+01
      5   0.236368D+01  0.605845D+01  0.187846D+01 -0.255171D+01 -0.270188D+01
      6  -0.174747D+01 -0.367770D+01 -0.137182D+01  0.237430D+01  0.658007D+01
               151           152           153           154           155 
      1  -0.153646D+01 -0.659515D+00 -0.119364D+01  0.357474D+01  0.251964D+01
      2   0.145927D+00  0.341705D+01  0.203462D+01 -0.122519D+02 -0.200858D+00
      3   0.139053D+01 -0.275754D+01 -0.840987D+00  0.867714D+01 -0.231879D+01
      4   0.383829D+01 -0.388792D+01 -0.517692D+01 -0.450660D+01  0.471266D+01
      5   0.564327D+01 -0.425329D+01 -0.235171D+01  0.194170D+02 -0.497069D+01
      6  -0.388625D+01  0.769433D+01  0.110026D+01 -0.870551D+01  0.520008D+01
               156           157           158           159           160 
      1  -0.443688D+01 -0.126210D+01 -0.619544D+00  0.946497D+00 -0.247680D+01
      2  -0.123321D+02 -0.588628D+00 -0.752883D+00 -0.163704D+01 -0.106180D+02
      3   0.167690D+02  0.185073D+01  0.137243D+01  0.690542D+00  0.130948D+02
      4  -0.545788D+01  0.498120D+01 -0.143725D+01  0.241149D+01 -0.421523D+01
      5   0.189491D+02 -0.109985D+01  0.301327D+01 -0.897590D+00  0.167090D+02
      6  -0.960995D+01  0.260545D+01 -0.221874D+01  0.678477D+01 -0.648075D+01
               161           162           163           164           165 
      1   0.362660D+01 -0.113534D+02 -0.296871D+01 -0.802179D+01  0.895211D+01
      2   0.692400D+00 -0.161336D+02 -0.148045D+01  0.485912D+01  0.145633D+01
      3  -0.431900D+01  0.274870D+02  0.444917D+01  0.316267D+01 -0.104084D+02
      4   0.245373D+01 -0.371096D+01  0.815258D+01  0.822893D+01 -0.666813D+01
      5  -0.291869D+01  0.198236D+02 -0.112512D+02 -0.745240D+01  0.127149D+02
      6   0.788891D+01 -0.124629D+02 -0.941654D+01 -0.137411D+02  0.128027D+02
               166           167           168           169           170 
      1  -0.475722D+01 -0.104109D+02  0.928897D+01  0.363085D+01  0.745389D+01
      2   0.273157D+01  0.998214D+01 -0.161753D+01  0.599264D+00 -0.594774D+00
      3   0.202565D+01  0.428765D+00 -0.767144D+01 -0.423011D+01 -0.685911D+01
      4   0.754534D+01  0.586076D+01 -0.464129D+01 -0.445783D+01 -0.412547D+01
      5  -0.550957D+01 -0.657657D+01  0.513551D+01  0.897512D+01  0.463239D+01
      6  -0.831889D+01 -0.141053D+02  0.148206D+02  0.600020D+01  0.120247D+02
               171           172           173           174           175 
      1  -0.106877D+02 -0.453891D+01  0.892861D+00 -0.105217D+02 -0.971518D+00
      2  -0.347992D+01 -0.414743D+01 -0.701404D+00 -0.422484D+01  0.146556D+01
      3   0.141677D+02  0.868634D+01 -0.191457D+00  0.147465D+02 -0.494044D+00
      4   0.437871D+01 -0.903784D+01  0.499261D+00 -0.194233D+01  0.144607D+01
      5  -0.752363D+01  0.131542D+02  0.161385D+01  0.799857D+01  0.178195D+01
      6  -0.142303D+02  0.221886D+00  0.460885D+01 -0.545262D+01  0.192438D+01
               176           177           178           179           180 
      1  -0.282169D+01 -0.619938D+00 -0.578143D+01 -0.152788D+00 -0.637554D+01
      2   0.364812D+01 -0.261286D+01 -0.251366D+01 -0.116755D+01 -0.620264D+01
      3  -0.826432D+00  0.323280D+01  0.829509D+01  0.132033D+01  0.125782D+02
      4   0.118178D+01  0.692487D-01 -0.258597D+01  0.540409D+00 -0.293057D+01
      5   0.145593D+01 -0.157000D+01  0.982396D+01 -0.738814D-02  0.483236D+01
      6  -0.154150D+01  0.203150D+01 -0.212445D+01  0.284990D+01 -0.187909D+01
               181           182           183           184           185 
      1  -0.240373D+00  0.130046D+01 -0.381964D+00 -0.201547D+00 -0.204189D+02
      2   0.137095D+01  0.179948D+01  0.143962D+01  0.489757D+01  0.370910D+02
      3  -0.113057D+01 -0.309994D+01 -0.105766D+01 -0.469603D+01 -0.166721D+02
      4   0.410603D+01  0.786340D+01 -0.228113D+01  0.109179D+02  0.208303D+02
      5  -0.243614D+01 -0.304711D+01  0.497983D+01 -0.474520D+01 -0.580742D+01
      6  -0.279136D+01 -0.316057D+01  0.118092D+01 -0.591473D+01 -0.294798D+02
               186           187           188           189           190 
      1   0.828529D+01  0.271080D+00  0.171013D+01 -0.241430D+01  0.878955D+01
      2  -0.507508D+01  0.180611D+01  0.168592D+01  0.836549D+00 -0.166464D+02
      3  -0.321020D+01 -0.207719D+01 -0.339605D+01  0.157775D+01  0.785688D+01
      4  -0.517683D+01  0.132893D+00  0.731081D+00  0.198060D+01  0.252701D+01
      5   0.446851D+01  0.307150D+01  0.127900D+01 -0.168579D+01 -0.225527D+02
      6   0.142687D+02  0.110851D+01  0.630843D+01 -0.267481D+01 -0.243998D+00
               191           192           193           194           195 
      1  -0.206383D+01 -0.709657D+00 -0.340158D+01 -0.726933D+00 -0.173084D+01
      2   0.383823D+01  0.163750D+02  0.678327D+01 -0.572373D+00 -0.863118D+01
      3  -0.177440D+01 -0.156653D+02 -0.338169D+01  0.129931D+01  0.103620D+02
      4   0.409763D+01 -0.311105D+01  0.285643D+01 -0.928422D+00 -0.276126D+01
      5   0.259652D+01  0.244111D+02  0.873115D+01 -0.533174D+01 -0.987245D+01
      6  -0.557945D+01  0.178860D+01 -0.413199D+01  0.207273D+01  0.485455D+01
               196           197           198           199           200 
      1  -0.165624D+01 -0.260250D+00 -0.672670D+01  0.912999D+01 -0.394286D+01
      2   0.134069D+02 -0.356892D+01 -0.215647D+02 -0.787406D+01  0.301814D+01
      3  -0.117506D+02  0.382917D+01  0.282914D+02 -0.125593D+01  0.924724D+00
      4  -0.240983D+01 -0.296099D+01  0.170324D+01 -0.274644D+01  0.303334D+01
      5   0.199642D+02 -0.294735D+01 -0.254413D+02  0.827777D+01 -0.296660D+01
      6   0.658112D+00  0.575409D+01 -0.107305D+01 -0.568134D+00  0.577750D+00
               201           202           203           204           205 
      1   0.559717D+01 -0.100791D+02  0.733891D+00 -0.173649D+01  0.139843D+02
      2  -0.613076D+01  0.676010D+01  0.195154D-01  0.352061D+01 -0.115593D+02
      3   0.533592D+00  0.331901D+01 -0.753406D+00 -0.178412D+01 -0.242505D+01
      4  -0.162187D+01  0.424688D+01 -0.205694D+01  0.570114D+01  0.383881D+00
      5   0.138864D+02 -0.521256D+01  0.548894D+01 -0.101667D+02  0.207314D+02
      6   0.664934D+00  0.728475D+00 -0.149675D+01  0.229087D+01  0.227169D+01
               206           207           208           209           210 
      1  -0.407626D+00  0.636974D+01  0.522013D+02 -0.851403D+01 -0.171677D+02
      2   0.335478D+01 -0.167870D+02 -0.283351D+02  0.529077D+01  0.982481D+01
      3  -0.294716D+01  0.104172D+02 -0.238662D+02  0.322326D+01  0.734290D+01
      4   0.853910D+01 -0.516208D+01 -0.245351D+01  0.897774D+01  0.115975D+01
      5  -0.692265D+01  0.329154D+02 -0.185258D+02  0.290231D+01  0.156869D+02
      6   0.325202D+01  0.327631D+01 -0.187283D+01 -0.111870D-01  0.194510D+01
               211           212           213           214           215 
      1  -0.190050D+02  0.640480D+01  0.449773D+01 -0.329615D+02  0.391830D+01
      2   0.111339D+02 -0.145284D+01 -0.257682D+01  0.189678D+02 -0.252101D+01
      3   0.787113D+01 -0.495196D+01 -0.192091D+01  0.139936D+02 -0.139729D+01
      4   0.102034D+02 -0.249491D+01 -0.381195D+01 -0.231345D+00 -0.701239D+01
      5   0.601443D+01 -0.369153D+01 -0.736554D+01  0.207469D+02 -0.458844D+01
      6  -0.691228D+00  0.152825D+01  0.137167D+01  0.159381D+01  0.138759D+01
               216           217           218           219           220 
      1   0.135037D+02  0.707545D+01  0.525376D+01 -0.116011D+01  0.107387D+02
      2  -0.114631D+02 -0.554954D+00 -0.599367D+00  0.925279D+00  0.353522D+01
      3  -0.204058D+01 -0.652049D+01 -0.465440D+01  0.234827D+00 -0.142739D+02
      4  -0.269269D+01  0.763430D+01  0.116427D+02  0.100369D+01  0.264657D+02
      5  -0.162787D+02 -0.682658D+00  0.162910D+01  0.323722D+01  0.407933D+01
      6  -0.128314D+01  0.686899D+00  0.830626D+00  0.338036D+00  0.327941D+01
               221           222           223           224           225 
      1  -0.468542D+01  0.269201D+00 -0.259317D+01 -0.110450D+00  0.111045D+01
      2   0.259889D+02  0.748640D+00  0.117917D+01  0.748165D+00  0.550821D-01
      3  -0.213035D+02 -0.101784D+01  0.141399D+01 -0.637716D+00 -0.116553D+01
      4   0.474590D+02  0.430382D+01  0.122477D+01  0.286914D+01  0.384441D+01
      5   0.442574D+01  0.714989D+01  0.616632D+01  0.381287D+01  0.275814D+01
      6   0.758056D+01  0.724976D+01  0.257153D+01  0.593530D+01  0.134683D+01
               226           227           228           229           230 
      1   0.160544D+02  0.109029D+02 -0.480156D+01  0.768955D+01  0.239240D+01
      2  -0.598928D+01 -0.278873D+01  0.124978D+01  0.103848D+00  0.604531D+01
      3  -0.100651D+02 -0.811419D+01  0.355178D+01 -0.779340D+01 -0.843770D+01
      4   0.186563D+02  0.215506D+02 -0.607621D+01  0.151582D+02  0.253375D+02
      5  -0.628598D+01 -0.305087D+01  0.764673D+01 -0.290000D+01 -0.643104D+01
      6  -0.467693D+01 -0.471728D+01  0.393799D+01 -0.453720D+01 -0.579477D+01
               231           232           233           234 
      1  -0.284839D+01 -0.102257D+02 -0.406223D+01  0.517112D+01
      2  -0.157364D+01  0.399296D+01 -0.210095D+01 -0.359841D+01
      3   0.442203D+01  0.623269D+01  0.616319D+01 -0.157271D+01
      4  -0.799841D+01 -0.116105D+02 -0.206419D+02  0.100679D+02
      5   0.284470D+01  0.954142D+01  0.712584D+01 -0.929222D+01
      6   0.655668D+01  0.544337D+01  0.804618D+01 -0.585440D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120556D+03      0.178646D+02      0.198771D+02
   aniso      0.251637D+02      0.372888D+01      0.414894D+01
   xx         0.131523D+03      0.194896D+02      0.216852D+02
   yx        -0.772526D+01     -0.114477D+01     -0.127372D+01
   yy         0.122811D+03      0.181987D+02      0.202488D+02
   zx         0.287328D+00      0.425776D-01      0.473740D-01
   zy         0.111706D+01      0.165532D+00      0.184179D+00
   zz         0.107336D+03      0.159055D+02      0.176973D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120556D+03      0.178646D+02      0.198771D+02
   aniso      0.251637D+02      0.372888D+01      0.414894D+01
   xx         0.118157D+03      0.175091D+02      0.194815D+02
   yx         0.576879D+01      0.854847D+00      0.951145D+00
   yy         0.110663D+03      0.163985D+02      0.182458D+02
   zx        -0.705277D+01     -0.104511D+01     -0.116284D+01
   zy        -0.822276D+00     -0.121849D+00     -0.135575D+00
   zz         0.132849D+03      0.196862D+02      0.219039D+02

 ----------------------------------------------------------------------

 Test job not archived.
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 HO!  SUCH BUGS AND GOBLINS IN MY LIFE!

                            -- HAMLET, ACT 5, SCENE 2
 Job cpu time:       0 days 17 hours 35 minutes  4.9 seconds.
 Elapsed time:       0 days  2 hours 13 minutes 13.7 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:27:20 2021.
